data_2krh_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 2krh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 74.420000000000002 110.858 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -57.77 -41.87 82.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.8 mm -55.56 -22.03 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 111.166 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.5 ttp -47.67 -30.42 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.886 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.32 -51.24 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.925 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.37 -49.98 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 t -47.44 -38.74 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -53.74 -42.88 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.886 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.3 t -76.36 -41.8 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 111.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mm -60.55 -33.17 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.136 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.65 -24.77 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.836 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 p -77.21 -43.68 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 111.119 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.854 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -149.21 140.44 23.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -154.38 149.45 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.430000000000007 111.151 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.7 p -83.33 153.88 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 111.175 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.87 -50.71 60.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.14 46.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 50.109999999999999 112.466 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.94 -50.34 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 75.319999999999993 110.933 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -53.75 48.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 71.109999999999999 110.921 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -57.0 -50.95 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -18.7 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.450000000000003 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -94.52 -34.47 12.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.7 -25.95 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.931 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.33 -27.89 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.409999999999997 111.11 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.82 10.71 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -131.79 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 74.040000000000006 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.81 -32.65 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 64.310000000000002 110.886 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t0 68.65 63.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 74.430000000000007 110.861 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.14 38.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 75.150000000000006 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.31 -45.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 75.420000000000002 111.081 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.31 -35.15 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 111.117 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -32.83 65.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 55.100000000000001 112.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mt -77.08 -32.55 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 74.319999999999993 111.132 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.78 -31.08 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.912 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -34.78 73.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.855 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -67.88 -46.65 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.430000000000007 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.53 80.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 50.210000000000001 111.123 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -58.43 -27.49 64.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -51.97 -30.94 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.299999999999997 110.867 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -113.96 24.84 11.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.93 66.18 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 53.299999999999997 112.533 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -114.02 -17.69 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.540000000000006 110.925 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 m -112.51 116.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -84.41 3.11 37.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.85 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 70.239999999999995 110.885 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.795 0.331 . . . . 73.209999999999994 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -91.19 122.02 33.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.931 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 128.65 24.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 110.945 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.09 -6.53 83.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.039999999999999 112.476 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -122.17 -54.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 75.25 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 14.6 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.896 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.22 -26.17 50.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -20.82 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.857 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.51 114.77 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 70.430000000000007 111.12 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.6 t -93.3 112.3 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 111.186 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.59 109.2 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.52 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.329999999999998 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tp -49.18 105.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 73.540000000000006 110.951 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.6 mt -94.59 93.38 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.931 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.861 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 75.230000000000004 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -68.37 -43.05 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.299999999999997 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.73 -39.91 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.7 -22.91 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.129999999999995 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -52.54 -25.64 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.120000000000005 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -55.46 -52.81 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -47.63 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.44 -38.51 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 65.319999999999993 110.866 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.92 -42.05 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.91 -38.71 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 111.147 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.35 -29.88 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.146 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.68 -23.56 61.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.530000000000001 110.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -71.79 -44.09 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.134 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 75.549999999999997 110.901 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.757 0.313 . . . . 73.109999999999999 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -148.99 139.94 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.140000000000001 110.91 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.75 149.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 111.157 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p -83.75 153.06 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 72.319999999999993 111.127 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.85 -49.28 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.94 -46.72 55.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 61.32 112.491 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.22 -51.3 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 75.049999999999997 110.906 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -50.83 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 63.130000000000003 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -59.83 -51.76 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 72.129999999999995 110.838 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -18.36 23.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -94.39 -34.76 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.854 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -25.9 44.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.030000000000001 110.939 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.34 -27.74 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 65.329999999999998 111.105 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -90.11 10.75 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -131.84 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.75 -33.08 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 110.848 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 t0 68.74 63.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 61.219999999999999 110.874 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.219999999999999 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.54 -45.63 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 73.040000000000006 111.106 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.9 t -55.33 -35.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 111.16 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -31.35 66.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 65.129999999999995 112.494 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.77 -35.83 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 75.140000000000001 111.128 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -51.77 -33.74 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 70.340000000000003 110.92 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 mtp -55.09 -30.12 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 110.914 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.41 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.854 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.21 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -27.6 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 71.329999999999998 110.845 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -51.55 -33.69 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -114.07 32.41 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.140000000000001 110.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.7 66.76 2.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 74.510000000000005 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.43 -27.27 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 75.109999999999999 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.54 120.31 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.139 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -4.69 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 60.240000000000002 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 64.340000000000003 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.819 0.342 . . . . 73.25 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -84.39 114.48 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.954 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.07 116.9 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 74.439999999999998 110.915 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -13.14 44.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 72.439999999999998 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -122.13 -53.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 73.5 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.08 14.17 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 110.882 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.14 -26.46 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -71.38 -19.75 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.71 114.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 70.310000000000002 111.124 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.68 111.34 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.420000000000002 111.123 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.92 109.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.178 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -100.43 111.43 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 111.091 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -48.35 105.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.939 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.7 mt -92.13 85.76 5.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.879 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 75.040000000000006 110.898 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.903 0.383 . . . . 71.230000000000004 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.64 -41.29 79.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.219999999999999 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.62 -41.53 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mm -55.53 -22.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.129999999999995 111.166 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -30.26 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.859 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -56.94 -50.31 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 64.430000000000007 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -50.85 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.62 -36.03 10.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.861 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.49 -42.81 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.349999999999994 110.9 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.75 -36.92 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.439999999999998 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.9 -35.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.099999999999994 111.145 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -65.58 -28.5 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.299999999999997 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -70.8 -36.05 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.6 mtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 110.901 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.784 0.326 . . . . 72.209999999999994 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.7 140.39 23.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -154.78 150.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.519999999999996 111.107 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.8 p -82.14 157.96 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 111.135 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.68 -45.97 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.92 -46.59 49.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 64.329999999999998 112.474 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.4 -49.21 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 64.409999999999997 110.913 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.35 -46.65 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -64.44 -53.28 50.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.875 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -18.02 26.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.833 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.150000000000006 110.854 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.92 -26.17 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.219999999999999 110.932 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -56.32 -27.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.099999999999994 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.81 10.69 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.866 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -131.78 -71.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 75.239999999999995 111.145 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -124.01 -32.43 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.149999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t0 68.5 62.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.829 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.75 -45.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 75.129999999999995 111.145 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.58 -35.28 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.040000000000006 111.149 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.02 -32.04 66.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 71.030000000000001 112.506 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.98 -34.07 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 73.540000000000006 111.146 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -51.68 -31.01 24.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.933 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.2 mtp -57.28 -32.7 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -70.95 -48.16 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 71.420000000000002 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.87 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 111.121 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -27.67 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.874 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -52.1 -31.26 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.530000000000001 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -113.79 23.64 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 74.310000000000002 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.79 67.32 2.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 63.25 112.5 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -114.0 -17.26 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 74.239999999999995 110.913 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 m -113.0 116.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 75.209999999999994 111.122 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.56 3.23 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 71.310000000000002 110.844 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.87 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.796 0.331 . . . . 75.430000000000007 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -92.81 129.7 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.450000000000003 110.903 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -60.32 119.23 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.69 -13.54 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 62.549999999999997 112.467 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -122.11 -43.93 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 74.519999999999996 110.904 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.82 14.33 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 110.858 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.84 -26.37 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.848 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -73.66 -18.79 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.099999999999994 110.851 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.7 114.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.138 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -91.65 113.22 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 71.549999999999997 111.089 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.61 109.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.340000000000003 111.098 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.93 112.15 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.152 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.76 105.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.903 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.71 87.47 5.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.430000000000007 110.914 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.894 0.378 . . . . 74.230000000000004 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.2 79.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 74.239999999999995 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.28 -40.52 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.904 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.72 -20.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.200000000000003 111.128 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttt -52.37 -25.4 9.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.849 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.85 -54.19 45.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.030000000000001 110.916 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -46.1 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 61.420000000000002 110.887 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -47.9 -38.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 55.229999999999997 110.847 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -53.98 -42.0 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.88 -37.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 72.230000000000004 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.3 mm -65.49 -34.23 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 111.165 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -27.49 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.869 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 p -72.32 -25.84 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.400000000000006 111.142 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.5 mtm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.858 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 73.430000000000007 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -149.29 140.25 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.150000000000006 110.864 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.88 150.76 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 65.140000000000001 111.165 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.2 p -83.47 156.35 22.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.109999999999999 111.164 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.34 -46.13 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.874 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.06 50.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 74.310000000000002 112.463 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.57 -50.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 72.310000000000002 110.894 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.0 -45.81 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -65.12 -53.07 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -17.95 29.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 64.230000000000004 110.88 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -93.49 -34.75 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.824 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.82 -27.22 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.914 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.22 -27.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.549999999999997 111.176 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -89.96 10.69 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.905 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.79 -71.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.47 -34.0 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 64.450000000000003 110.866 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t0 69.25 66.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.239999999999995 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.77 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 63.530000000000001 110.92 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.02 -45.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.5 111.136 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -53.99 -34.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 111.114 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.09 -33.21 65.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 73.319999999999993 112.496 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.82 -32.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 64.519999999999996 111.14 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 mt -51.77 -31.16 25.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 74.329999999999998 110.903 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.4 mtt -60.38 -34.42 73.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.884 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -71.79 -55.02 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.875 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.65 -31.09 67.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.14 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -65.24 -27.89 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.010000000000005 110.843 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -51.89 -33.38 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.530000000000001 110.877 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -114.01 32.26 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.109999999999999 110.856 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.61 1.94 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 73.140000000000001 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -113.99 -24.56 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 72.230000000000004 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.14 118.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.122 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -88.21 8.24 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 63.149999999999999 110.836 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.049999999999997 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.808 0.337 . . . . 63.32 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -92.22 121.33 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.938 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 127.93 22.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.23 -7.68 80.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 51.450000000000003 112.496 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -122.26 -39.39 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 74.430000000000007 110.898 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 14.15 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.219999999999999 110.864 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -56.4 -26.18 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.540000000000006 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -69.22 -20.66 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.4 t -55.46 114.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.409999999999997 111.143 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.2 t -91.96 116.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.150000000000006 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.84 109.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -102.15 111.6 23.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.68 105.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.0 mt -94.73 85.24 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.899 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 63.350000000000001 110.907 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.934 0.397 . . . . 73.150000000000006 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -68.69 -42.32 77.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.409999999999997 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.21 -41.18 83.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 61.329999999999998 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.44 -21.62 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.530000000000001 111.153 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.67 -25.87 8.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.340000000000003 110.873 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.06 -53.64 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.4 -45.7 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.895 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.72 -38.7 15.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 72.030000000000001 110.896 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.75 -42.15 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.848 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.97 -39.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.146 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.59 -34.49 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -29.09 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.129999999999995 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 p -70.62 -29.64 66.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.18 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 110.874 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.718 0.294 . . . . 72.420000000000002 111.158 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -147.42 139.78 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.954 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -154.5 151.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 74.239999999999995 111.121 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -84.19 156.28 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.049999999999997 111.119 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.38 -47.99 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.52 -47.44 51.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 70.140000000000001 112.48 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -65.87 -50.86 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 74.310000000000002 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.83 -51.58 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.109999999999999 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 71.230000000000004 110.86 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -18.55 23.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 61.420000000000002 110.91 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -94.47 -34.47 12.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 73.349999999999994 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -26.03 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.907 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.4 m -56.29 -27.91 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.230000000000004 111.131 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -90.19 10.93 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.85 -71.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.430000000000007 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 -33.41 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.844 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t0 68.78 64.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 110.878 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.72 -45.69 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.219999999999999 111.096 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.07 -36.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.549999999999997 111.107 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.43 66.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 74.519999999999996 112.446 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mt -76.72 -36.65 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 72.239999999999995 111.109 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.79 -30.99 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.872 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.4 mmm -56.77 -32.25 65.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.120000000000005 110.933 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -77.49 -41.09 40.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.896 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.28 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.399999999999999 111.072 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.08 -27.84 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.843 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -51.69 -33.47 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 110.944 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -114.1 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.349999999999994 110.826 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.28 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 75.120000000000005 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.94 -26.31 8.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 74.430000000000007 110.859 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -114.26 117.4 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 60.409999999999997 111.133 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -84.51 3.23 37.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 75.400000000000006 110.856 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.802 0.334 . . . . 74.010000000000005 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -100.47 128.14 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 110.904 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 122.93 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.09 58.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 74.340000000000003 112.457 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -122.0 -55.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 73.530000000000001 110.925 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -92.43 14.31 16.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.866 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.22 -26.46 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 60.399999999999999 110.839 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -17.69 59.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 70.409999999999997 110.823 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.68 112.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 111.145 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -87.52 113.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 71.420000000000002 111.13 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.1 108.91 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 111.113 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -101.28 112.44 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 70.310000000000002 111.087 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.55 105.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.945 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -93.2 85.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 65.510000000000005 110.91 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 110.884 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 70.450000000000003 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -44.13 72.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.97 -38.82 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.0 mm -58.69 -22.55 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 70.329999999999998 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.7 mtp -52.6 -25.3 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.239999999999995 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -54.84 -54.23 45.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 73.510000000000005 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -47.84 10.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 73.420000000000002 110.892 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.28 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 61.530000000000001 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.98 -42.3 68.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.219999999999999 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.94 -39.96 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 111.11 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.84 -36.67 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 111.134 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.51 -27.65 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.019999999999996 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -74.59 -32.32 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.240000000000002 111.131 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 63.43 110.915 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.847 0.356 . . . . 73.420000000000002 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -147.72 140.06 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 m -153.89 151.63 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.120000000000005 111.167 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 p -85.72 154.83 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 111.13 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.09 -48.57 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.95 -47.21 54.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 74.120000000000005 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.2 -51.26 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 73.049999999999997 110.875 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 110.905 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -58.93 -52.39 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.409999999999997 110.879 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.07 -19.4 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.95 -33.94 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -26.17 43.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.549999999999997 110.9 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.0 m -56.16 -28.19 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.430000000000007 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -90.18 11.08 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 72.420000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -131.91 -71.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.138 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -126.82 -33.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.854 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 68.91 64.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 110.832 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.86 36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.9 -45.55 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.530000000000001 111.111 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.69 -39.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 111.148 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.38 -33.21 84.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 52.039999999999999 112.491 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -76.94 -33.96 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 73.409999999999997 111.161 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 mt -51.89 -30.98 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.0 mtm -59.5 -34.02 72.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.54 -55.09 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.329999999999998 111.112 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -64.48 -27.69 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -51.73 -33.46 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -114.09 33.24 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.825 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.83 67.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 74.540000000000006 112.467 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.02 -26.98 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 72.030000000000001 110.951 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -117.71 119.16 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 74.049999999999997 111.121 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -87.19 7.28 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.852 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.34 . . . . 74.540000000000006 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -91.32 125.1 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 120.95 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.915 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.98 -15.75 47.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 73.439999999999998 112.462 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -122.13 -49.77 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 74.540000000000006 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.43 14.25 21.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.310000000000002 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.56 -26.35 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -71.9 -18.66 62.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.857 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.1 t -55.71 114.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 111.134 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -90.86 117.43 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 111.176 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.05 109.37 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.400000000000006 111.168 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.71 112.49 25.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 71.409999999999997 111.13 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.39 105.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 74.549999999999997 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -93.32 85.63 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.932 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.835 0.35 . . . . 75.140000000000001 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -69.19 -43.47 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.54 -39.0 78.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mm -56.0 -21.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.530000000000001 111.138 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptm -47.8 -30.07 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.876 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.16 -50.84 70.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.43 -50.39 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.2 t -47.61 -37.04 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.912 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -55.42 -42.57 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.862 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.9 t -75.87 -36.77 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 72.409999999999997 111.153 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.9 mm -66.47 -34.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -65.97 -29.12 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -69.49 -34.15 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 111.173 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 mtm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.868 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 71.230000000000004 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -145.84 140.4 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 72.120000000000005 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -154.66 151.06 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.131 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 p -82.92 159.08 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.129999999999995 111.116 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.23 -45.71 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.88 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.96 -45.98 50.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 75.400000000000006 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.47 -49.13 57.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 63.200000000000003 110.861 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.87 -43.72 73.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.901 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.99 -53.06 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 74.319999999999993 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -17.05 24.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -94.25 -35.62 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 110.859 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -26.08 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.230000000000004 110.89 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.25 -27.89 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 72.129999999999995 111.146 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -89.67 10.69 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.76 -71.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 111.096 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.36 -32.54 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t0 68.54 62.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.14 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.049999999999997 110.881 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.43 -45.49 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 111.131 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.47 -35.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 75.239999999999995 111.137 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -31.82 66.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 61.299999999999997 112.493 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.93 -34.07 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 70.299999999999997 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.4 mt -51.74 -32.55 31.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.872 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.2 mtt -55.63 -31.21 62.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -73.49 -48.22 35.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.73 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 111.135 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -64.72 -27.84 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.409999999999997 110.876 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -52.01 -35.5 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -108.06 23.47 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.95 66.96 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 53.520000000000003 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.02 -17.03 12.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 71.209999999999994 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.84 116.79 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 111.099 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -83.69 2.08 39.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.852 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.883 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 75.129999999999995 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -96.15 130.47 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.409999999999997 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.9 123.58 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.25 110.893 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.78 -3.14 87.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.239999999999995 112.535 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -122.22 -37.07 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 75.430000000000007 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.44 14.49 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.903 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.68 -26.24 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.319999999999993 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -72.17 -20.89 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.861 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.6 112.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.096 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.2 t -90.1 111.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 111.124 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.4 109.17 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 72.340000000000003 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.96 111.71 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.096 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.58 105.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.953 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.2 88.69 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 63.509999999999998 110.88 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.88 0.372 . . . . 75.439999999999998 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -68.5 -43.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.049999999999997 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -57.15 -39.67 75.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.911 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.49 -25.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 62.240000000000002 111.171 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.9 mtp -53.13 -25.09 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 60.140000000000001 110.873 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -54.74 -53.36 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 74.409999999999997 110.876 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.23 -45.3 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.93 -38.61 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.209999999999994 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -54.15 -42.08 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.129999999999995 110.862 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -75.85 -36.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.117 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -66.27 -35.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.096 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -27.13 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 63.030000000000001 110.871 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 p -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 75.209999999999994 111.127 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.9 mtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.855 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 72.409999999999997 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.68 140.2 24.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 70.030000000000001 110.915 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -153.93 151.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.084 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 p -82.98 156.52 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.127 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.48 -46.18 80.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.99 -46.45 50.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 71.450000000000003 112.483 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.4 -49.19 61.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.29 -46.86 72.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 110.848 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -64.32 -53.29 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.53 -17.96 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 74.409999999999997 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -94.13 -35.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.844 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -26.27 44.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 110.928 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 m -56.28 -27.81 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 72.140000000000001 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -89.7 10.66 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.209999999999994 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mt -131.76 -71.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.866 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 t0 68.52 62.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.299999999999997 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.57 -45.49 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 72.5 111.137 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.63 -35.44 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.140000000000001 111.158 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.99 -31.34 66.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.735 -0.745 . . . . 62.130000000000003 112.514 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.78 -36.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 75.340000000000003 111.117 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -51.77 -31.01 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.64 -30.43 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -79.04 -54.13 6.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.92 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.150000000000006 111.094 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -64.56 -27.88 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -51.9 -33.45 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -114.0 32.75 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.876 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.97 67.74 1.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 65.519999999999996 112.497 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -114.06 -25.33 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 73.239999999999995 110.891 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.34 116.94 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.096 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -84.85 3.7 36.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.878 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.030000000000001 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.775 0.321 . . . . 73.010000000000005 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.23 131.36 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.01 117.69 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.947 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.26 -13.99 47.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 60.109999999999999 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -122.03 -40.84 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 75.450000000000003 110.924 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.1 14.36 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 72.209999999999994 110.849 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.32 -26.41 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 54.549999999999997 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -75.73 -17.55 59.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 110.88 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.77 114.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 111.11 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.5 t -89.29 115.37 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.66 109.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 73.409999999999997 111.1 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 111.139 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -48.16 105.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 75.25 110.94 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.8 mt -94.17 85.43 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.936 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.891 0.377 . . . . 73.120000000000005 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -44.02 75.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -41.21 84.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.889 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.87 -21.44 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 111.146 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttt -52.35 -25.52 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.019999999999996 110.874 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.89 -54.06 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 74.239999999999995 110.869 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -48.32 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 72.450000000000003 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.3 t -48.09 -34.81 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -58.07 -41.86 84.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.854 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.73 -33.58 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.31 -35.83 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 63.530000000000001 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -20.28 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.340000000000003 110.899 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -79.26 -23.24 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 111.178 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 65.400000000000006 110.937 179.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 74.420000000000002 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -146.87 139.44 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 110.921 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -154.35 151.57 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 75.319999999999993 111.143 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -84.54 154.94 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 111.166 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.5 -49.42 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.849 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.9 -47.53 53.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 41.439999999999998 112.462 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.35 -51.12 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 72.439999999999998 110.89 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -50.79 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 75.319999999999993 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -58.8 -51.19 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -18.83 26.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 64.409999999999997 110.845 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -93.77 -34.51 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -26.75 44.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 74.140000000000001 110.936 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.33 -27.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.519999999999996 111.152 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.48 10.95 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.9 mt -132.14 -71.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 75.409999999999997 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 -34.08 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t0 69.13 64.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.329999999999998 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.5 35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.876 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.99 -45.73 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 73.439999999999998 111.148 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.0 t -53.87 -35.07 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.66 65.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.329999999999998 112.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -77.01 -32.77 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 75.109999999999999 111.134 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.0 mt -51.56 -33.35 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.896 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.46 -36.3 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.882 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -67.31 -49.56 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.846 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.03 71.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 111.144 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -64.96 -27.75 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.824 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -51.74 -33.34 34.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -114.14 33.12 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.310000000000002 110.848 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.32 67.44 1.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 70.340000000000003 112.516 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.0 -25.4 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 75.310000000000002 110.906 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.52 123.14 69.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.138 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.06 13.2 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.530000000000001 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 75.450000000000003 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -114.78 127.02 55.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.963 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 124.02 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.99 -5.69 78.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 75.109999999999999 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -122.13 -55.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 75.120000000000005 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.54 14.27 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.873 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.19 -26.44 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -72.51 -19.08 61.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.61 115.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 111.105 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -92.31 111.0 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.549999999999997 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.04 109.6 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.329999999999998 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.94 112.27 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tp -48.25 105.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -93.31 85.32 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.939 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.882 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.892 0.377 . . . . 74.319999999999993 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -43.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 75.019999999999996 110.868 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.76 -41.88 82.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.54 -22.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 111.116 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpp -47.84 -30.42 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.848 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -55.91 -51.38 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.26 -50.56 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 73.019999999999996 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.77 -34.41 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.319999999999993 110.883 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.96 -43.79 81.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 110.899 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -76.0 -40.85 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 73.430000000000007 111.078 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.4 mm -63.54 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.310000000000002 111.093 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -67.01 -23.4 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.519999999999996 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -79.17 -27.68 42.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 62.420000000000002 111.146 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.904 179.86 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 74.239999999999995 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -146.07 139.71 26.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 75.540000000000006 110.937 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -155.77 146.57 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 111.151 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 p -80.76 155.01 26.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 111.173 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.65 -49.4 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.904 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.61 -47.45 52.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 64.450000000000003 112.525 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -65.79 -51.04 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 73.109999999999999 110.903 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.91 -51.45 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.86 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.66 -51.26 70.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.936 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -18.33 28.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 110.906 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.25 -34.12 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 73.040000000000006 110.864 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -26.32 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 110.878 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.37 -27.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.200000000000003 111.161 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -90.7 10.7 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 70.030000000000001 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.0 mt -131.75 -71.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 111.191 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -33.61 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 65.109999999999999 110.861 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 69.04 63.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 65.209999999999994 110.913 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.83 36.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.25 -45.5 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 111.144 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.87 -36.05 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.174 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.35 69.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 75.349999999999994 112.505 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mt -77.06 -32.3 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 74.540000000000006 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.5 mt -51.81 -31.5 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.8 mtp -58.72 -33.77 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 74.209999999999994 110.91 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -68.33 -51.53 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 54.210000000000001 110.883 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.19 -27.6 69.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 75.209999999999994 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -30.81 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.33 23.69 13.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.839 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 65.75 3.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 72.510000000000005 112.503 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.06 -18.23 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 71.310000000000002 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.97 116.74 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.200000000000003 111.121 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -82.12 0.29 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.540000000000006 110.89 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 72.409999999999997 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -93.07 121.51 34.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.865 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.95 125.16 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.420000000000002 110.957 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.52 -9.98 74.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 62.520000000000003 112.505 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -122.18 -55.06 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.323 . . . . 74.530000000000001 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.19 14.24 16.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.893 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.58 -26.23 61.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.540000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -21.57 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.865 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.57 114.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.209999999999994 111.113 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.31 120.13 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.239999999999995 111.127 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.84 109.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.135 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.69 111.86 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -49.1 105.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.916 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.59 85.62 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 64.400000000000006 110.897 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.939 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 72.209999999999994 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -45.25 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.71 -39.11 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 64.530000000000001 110.866 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.25 -22.58 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -50.99 -26.09 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.109999999999999 110.909 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.83 -54.6 40.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 74.040000000000006 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -47.37 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.926 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -47.57 -38.07 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.319999999999993 110.844 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -53.9 -42.89 69.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.876 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.99 -41.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 63.399999999999999 111.088 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.82 -29.94 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 111.171 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -76.35 -22.83 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 111.13 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 71.349999999999994 110.896 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.132 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -146.79 139.45 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.340000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -156.07 151.08 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 111.136 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -85.27 155.55 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 70.230000000000004 111.143 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -49.26 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 73.219999999999999 110.912 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.85 -47.25 53.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 65.099999999999994 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.93 -51.34 59.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 73.5 110.817 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -50.31 66.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 110.929 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -59.44 -51.43 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.13 -18.61 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.25 110.851 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -93.96 -34.69 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.889 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -26.59 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.030000000000001 110.906 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -56.2 -27.9 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.430000000000007 111.118 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -90.39 10.93 23.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.319999999999993 110.879 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.87 -71.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.146 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -126.22 -33.5 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.817 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 68.89 65.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.98 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 110.897 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.88 -45.79 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 74.519999999999996 111.12 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.69 -35.31 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -32.39 65.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 63.109999999999999 112.521 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.92 -34.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 74.409999999999997 111.111 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.28 -32.49 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 51.420000000000002 110.923 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -74.33 -50.76 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.57 -31.99 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 52.409999999999997 111.068 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.02 -27.84 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.896 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.9 -33.5 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -114.06 32.67 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 72.019999999999996 110.854 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 68.13 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 74.25 112.463 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.04 -26.87 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.340000000000003 110.934 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.9 m -114.19 119.93 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 -0.1 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 110.862 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.924 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.787 0.327 . . . . 73.420000000000002 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.83 126.31 37.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.26 130.49 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.903 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.32 -1.99 83.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 63.329999999999998 112.513 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -122.15 -54.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 75.310000000000002 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.63 14.44 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.319999999999993 110.837 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.6 -26.4 55.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 45.329999999999998 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -70.63 -21.08 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -55.64 114.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -90.24 122.75 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.450000000000003 111.12 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.14 109.55 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 63.539999999999999 111.125 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.02 111.69 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.18 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.31 85.2 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 110.919 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.877 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 72.430000000000007 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -44.85 71.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 75.540000000000006 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.93 -39.46 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.349999999999994 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.3 mm -56.36 -22.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 75.040000000000006 111.149 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.6 mtp -48.0 -30.25 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.845 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.69 -51.17 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.329999999999998 110.87 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -50.24 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.897 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -48.14 -33.33 8.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.864 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.03 -42.39 90.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.899 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -77.32 -34.05 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 71.25 111.147 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -69.94 -36.55 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 111.142 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -20.34 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.319999999999993 110.865 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 p -79.52 -30.26 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 111.162 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 65.049999999999997 110.873 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.763 0.316 . . . . 74.019999999999996 111.119 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -146.64 139.66 25.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 m -156.45 148.5 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.540000000000006 111.138 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.8 p -82.25 156.57 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -53.32 -48.73 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 74.230000000000004 110.844 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.4 -47.72 50.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 72.099999999999994 112.459 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.61 -51.11 62.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 75.310000000000002 110.867 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.79 -52.23 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 75.409999999999997 110.955 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.1 -51.32 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 110.875 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -18.83 25.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 74.219999999999999 110.871 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -94.2 -34.38 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.883 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -26.3 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.908 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -56.28 -27.71 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.549999999999997 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -90.65 11.0 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.5 110.896 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.1 mt -132.0 -71.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 73.420000000000002 111.13 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.59 -33.62 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.030000000000001 110.887 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t0 68.79 64.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 62.130000000000003 110.879 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 74.219999999999999 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.95 -45.64 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.92 -36.04 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 111.093 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.16 -32.21 65.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 52.25 112.478 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.98 -33.6 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 72.349999999999994 111.146 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.1 mt -51.72 -32.67 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.299999999999997 110.95 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 mtp -56.71 -33.05 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.299999999999997 110.928 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -70.17 -46.86 63.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.845 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -30.51 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.540000000000006 111.098 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.13 -27.59 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.019999999999996 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -52.58 -29.81 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.030000000000001 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -113.99 23.75 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.010000000000005 110.851 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.92 66.35 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 71.409999999999997 112.484 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.01 -17.59 11.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 72.430000000000007 110.941 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.61 116.7 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.329999999999998 111.076 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -83.25 1.62 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.510000000000005 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 73.120000000000005 110.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -93.9 127.21 39.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.952 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -52.73 130.11 31.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.430000000000007 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.61 -2.12 83.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 74.129999999999995 112.483 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -122.12 -55.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 74.430000000000007 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.79 14.44 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.329999999999998 110.865 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -26.35 53.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 70.010000000000005 110.835 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.030000000000001 110.817 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.6 t -55.59 114.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.125 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -92.16 115.66 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 111.164 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.13 109.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.530000000000001 111.152 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.98 111.69 24.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 71.420000000000002 111.097 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tp -48.59 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 72.010000000000005 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.7 mt -92.83 85.87 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 110.959 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.908 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -68.94 -43.85 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.67 -35.7 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.05 -19.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.209999999999994 111.136 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -25.31 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.913 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -55.07 -57.62 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.150000000000006 110.905 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -46.06 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.951 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.0 t -47.96 -39.03 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.9 -41.86 68.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 64.400000000000006 110.83 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.09 -37.48 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.181 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.42 -35.37 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.430000000000007 111.155 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -64.93 -28.51 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.878 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -70.83 -37.84 73.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 111.111 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.8 mmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 74.209999999999994 110.85 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.742 0.306 . . . . 73.450000000000003 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.97 140.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.530000000000001 110.86 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.48 150.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 111.109 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 p -82.56 158.07 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.132 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -55.97 -50.33 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.864 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.91 -48.1 46.12 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 74.230000000000004 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.92 -51.04 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 75.209999999999994 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -53.71 48.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.400000000000006 110.917 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -57.05 -50.17 73.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.450000000000003 110.886 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -18.32 22.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.894 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -95.34 -34.27 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -24.97 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.22 -27.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.115 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -89.75 10.75 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.200000000000003 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.8 mt -131.83 -71.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -32.33 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.876 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t0 68.42 60.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 71.129999999999995 110.85 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 40.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.51 -45.11 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 111.173 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -53.58 -42.23 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 111.15 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 -31.09 78.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 64.219999999999999 112.451 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.59 -34.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 73.25 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.6 mt -52.0 -30.97 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -76.98 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 75.209999999999994 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.97 -30.34 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 111.105 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -65.73 -27.78 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.851 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.87 -32.26 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -114.1 32.17 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.150000000000006 110.858 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 66.79 2.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 72.530000000000001 112.461 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.03 -25.35 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 65.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.6 m -118.03 117.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 111.134 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -83.95 2.57 38.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.897 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.835 0.35 . . . . 72.409999999999997 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -91.28 121.13 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 74.310000000000002 110.913 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 127.69 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 64.329999999999998 110.908 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -7.74 81.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 72.319999999999993 112.477 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -122.28 -54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 74.519999999999996 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.23 14.39 18.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 74.349999999999994 110.867 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.12 -26.12 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -20.77 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.540000000000006 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.48 114.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.55 114.87 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 62.219999999999999 111.091 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.66 109.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -102.8 111.51 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.020000000000003 111.142 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tp -49.39 105.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.519999999999996 110.866 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -95.36 85.58 4.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 74.510000000000005 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 70.420000000000002 110.925 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.852 0.358 . . . . 71.329999999999998 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -40.85 78.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 75.209999999999994 110.898 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.13 -38.89 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.89 -22.13 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.129999999999995 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.4 mtt -52.97 -25.19 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 65.019999999999996 110.843 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.39 -53.42 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 72.329999999999998 110.925 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -46.84 12.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.450000000000003 110.925 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.22 -36.0 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.881 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 65.420000000000002 110.944 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.8 -32.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 73.219999999999999 111.139 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 mm -71.48 -35.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 111.139 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -65.61 -19.61 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -79.06 -24.78 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 111.141 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 110.908 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.806 0.336 . . . . 72.019999999999996 111.131 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.51 139.86 24.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.86 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.87 151.22 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.097 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -84.95 154.53 22.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 72.319999999999993 111.123 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -53.3 -47.47 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.89 -47.01 54.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 54.25 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -67.01 -51.16 58.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 72.5 110.864 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.74 -50.02 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.947 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -60.51 -51.53 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 75.340000000000003 110.902 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.34 -18.34 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 73.120000000000005 110.876 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -93.3 -34.99 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.833 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -27.4 45.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.2 m -56.23 -28.0 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.450000000000003 111.109 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -90.28 10.88 23.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mt -131.97 -71.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 111.128 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -126.92 -33.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.11 67.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.209999999999994 110.857 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.72 34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 61.240000000000002 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.87 -46.09 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 73.040000000000006 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.34 -34.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 65.019999999999996 111.147 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -33.4 65.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 34.32 112.505 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.0 -33.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.420000000000002 111.123 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.5 mt -51.6 -31.79 26.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.129999999999995 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtt -60.59 -38.03 83.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.010000000000005 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.8 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.892 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.2 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.209999999999994 111.097 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -27.8 69.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.859 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -51.83 -32.81 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -114.11 32.7 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.319999999999993 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.71 66.55 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 61.240000000000002 112.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -114.0 -23.75 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 71.230000000000004 110.914 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 m -115.28 118.66 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 111.105 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.66 9.73 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.856 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.7 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 73.129999999999995 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -94.23 134.32 36.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.530000000000001 110.905 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.77 124.86 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.439999999999998 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.4 85.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 71.340000000000003 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -122.04 -36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 70.420000000000002 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.24 14.34 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 65.310000000000002 110.843 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.38 -26.27 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.530000000000001 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -19.14 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.856 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -55.57 114.6 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 72.099999999999994 111.117 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.2 t -89.72 113.28 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 111.123 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.07 108.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 111.081 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -100.29 112.16 24.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.07 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -89.85 85.56 6.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.958 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.030000000000001 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.72 -40.56 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.409999999999997 110.823 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.85 -42.45 84.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.858 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.22 -22.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 111.109 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ttm -48.52 -29.1 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 110.895 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.7 -51.3 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 70.299999999999997 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -50.77 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 71.040000000000006 110.931 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.12 -37.89 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.909 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.16 -43.33 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.420000000000002 110.854 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.04 -40.08 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.549999999999997 111.113 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.65 -29.89 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.097 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -25.05 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.239999999999995 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -73.61 -44.65 56.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 70.340000000000003 111.161 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.859 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.78 0.324 . . . . 74.230000000000004 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -150.25 139.86 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.854 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -155.22 152.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 65.310000000000002 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -85.18 153.85 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 74.019999999999996 111.201 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.77 -49.37 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 72.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.67 -47.22 52.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 75.340000000000003 112.47 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.43 -51.03 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 73.329999999999998 110.934 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -50.34 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.933 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.89 -52.11 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.863 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.09 -17.54 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -93.07 -35.49 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 110.893 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -25.56 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.914 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -56.14 -28.24 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.420000000000002 111.13 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.57 10.17 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.549999999999997 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mt -131.66 -71.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.409999999999997 111.144 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -30.37 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.853 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 68.22 60.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 65.409999999999997 110.911 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.349999999999994 110.881 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.94 -45.99 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 111.149 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.88 -43.52 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 62.210000000000001 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.49 82.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 64.209999999999994 112.454 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.0 -35.47 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 111.146 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -51.66 -30.94 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -39.56 72.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -63.49 -49.02 75.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.96 -30.48 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.319999999999993 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -27.31 68.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -52.47 -29.69 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.019999999999996 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -114.03 24.4 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.854 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.63 65.79 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 74.099999999999994 112.474 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.03 -18.19 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 72.319999999999993 110.874 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.21 119.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 111.12 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 7.81 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.893 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 64.439999999999998 110.906 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 73.450000000000003 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -91.69 123.75 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 110.948 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 124.0 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 62.240000000000002 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.51 -17.36 53.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 53.310000000000002 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -122.17 -49.25 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 74.549999999999997 110.878 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.49 14.28 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 71.510000000000005 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.45 -26.38 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -18.61 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.65 114.82 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.111 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.25 112.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 75.430000000000007 111.171 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.21 109.33 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.115 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.85 113.09 26.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 111.158 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.35 105.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.932 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.1 mt -96.48 95.0 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.907 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.866 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.875 0.369 . . . . 73.329999999999998 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.18 75.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.56 -42.46 87.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 74.549999999999997 110.877 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.43 -20.55 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.129999999999995 111.127 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -25.95 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 110.86 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.01 -54.77 38.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 110.9 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -46.43 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 75.310000000000002 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -47.8 -38.45 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -53.77 -42.2 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.9 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.87 -40.68 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 111.108 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.7 -31.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.349999999999994 111.129 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -68.74 -24.28 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.905 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -74.06 -24.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.049999999999997 111.16 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.6 mmm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 110.904 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.338 . . . . 75.549999999999997 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -147.57 139.35 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 m -154.72 151.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 111.12 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 p -84.04 154.35 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 111.107 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.78 -48.96 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.109999999999999 110.911 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.14 -46.66 56.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 54.539999999999999 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.44 -51.4 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 62.509999999999998 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -50.0 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.03 -51.54 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -18.35 26.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.010000000000005 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.26 -34.63 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.79 -26.13 44.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.942 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 m -56.26 -27.78 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 72.439999999999998 111.136 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -90.3 10.78 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mt -131.86 -71.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 111.159 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.27 -33.53 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 110.861 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t0 68.99 63.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.872 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.12 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.5 -45.82 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 111.151 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.3 -35.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.165 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.89 66.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.481 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.74 -35.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 75.040000000000006 111.132 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.8 mt -51.7 -30.95 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.924 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.27 -33.84 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.883 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -74.61 -44.39 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.049999999999997 110.838 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.58 74.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 61.450000000000003 111.069 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -64.88 -27.81 69.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 70.510000000000005 110.839 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -51.82 -33.54 36.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.907 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -114.06 32.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 70.400000000000006 110.858 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.21 2.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.735 . . . . 73.129999999999995 112.485 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.03 -23.92 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 m -114.67 121.02 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 73.049999999999997 111.144 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -88.95 -4.6 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.420000000000002 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 72.219999999999999 110.866 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.772 0.32 . . . . 73.150000000000006 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -91.5 121.4 33.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 74.030000000000001 110.906 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 125.34 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 110.938 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.96 -9.26 77.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 64.409999999999997 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -122.27 -55.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 71.530000000000001 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.03 14.42 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 53.140000000000001 110.87 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -56.26 -26.24 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -19.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.58 115.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -92.67 116.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.43 109.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 t -105.43 113.4 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 64.409999999999997 111.129 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.91 104.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 63.140000000000001 110.924 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.95 84.76 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.906 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.0 110.908 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 75.519999999999996 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -68.71 -42.97 76.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.927 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.78 -41.85 87.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.219999999999999 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.83 -20.59 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 111.134 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.3 ttp -52.01 -25.26 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.911 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.99 -53.76 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 70.519999999999996 110.874 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -47.08 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.510000000000005 110.919 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.12 15.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.7 -41.93 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 74.540000000000006 110.885 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.73 -36.78 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.099999999999994 111.157 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.53 -35.81 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 111.153 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -64.91 -27.49 68.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -72.95 -24.8 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 111.196 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.0 mtm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.9 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.793 0.33 . . . . 73.310000000000002 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -148.05 139.97 24.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 70.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -154.26 150.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.540000000000006 111.134 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 p -82.46 158.45 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 111.114 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.35 -46.77 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.56 49.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 75.5 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.93 -48.45 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 74.030000000000001 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.06 -48.09 73.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.409999999999997 110.934 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -63.07 -52.95 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.849 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -18.12 25.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 63.350000000000001 110.881 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -94.4 -34.77 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.862 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -25.98 44.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.129999999999995 110.932 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 m -56.28 -27.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 62.329999999999998 111.155 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -89.97 10.75 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.230000000000004 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.6 mt -131.8 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.139 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -124.57 -32.99 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 64.140000000000001 110.802 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.81 62.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 75.430000000000007 110.845 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.19 39.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.010000000000005 110.836 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.69 -45.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 51.009999999999998 111.142 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.64 -35.32 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.01 -31.52 66.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 73.319999999999993 112.456 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.81 -36.2 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.329999999999998 111.136 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.6 mt -51.77 -30.96 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.931 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 73.329999999999998 110.867 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -76.33 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.019999999999996 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.04 -31.14 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.510000000000005 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -66.42 -27.91 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -51.82 -32.98 33.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -114.11 29.49 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.88 68.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 62.310000000000002 112.54 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.37 -27.91 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 73.540000000000006 110.87 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.77 120.73 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 111.17 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.25 5.5 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.873 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.85 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 75.319999999999993 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -90.38 119.58 30.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.549999999999997 110.927 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.44 128.84 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 75.409999999999997 110.932 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 -8.99 78.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 55.039999999999999 112.501 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -122.37 -52.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 74.239999999999995 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.66 14.16 21.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 110.86 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.17 -26.1 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 65.150000000000006 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -68.16 -20.74 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.52 114.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 111.131 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.46 118.31 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.59 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 111.109 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.86 111.92 24.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 tp -50.03 105.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.885 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -97.83 89.28 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.030000000000001 110.914 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.450000000000003 110.878 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 73.209999999999994 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -69.35 -43.71 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 73.239999999999995 110.866 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.58 -42.34 87.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.905 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.48 -19.99 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 61.5 111.133 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.6 ttt -51.27 -25.47 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.019999999999996 110.857 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.07 -57.5 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 73.510000000000005 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -45.77 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.340000000000003 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 t -48.03 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.887 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.75 -42.4 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.150000000000006 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -76.05 -39.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 75.140000000000001 111.123 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 mm -64.21 -31.43 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.200000000000003 111.169 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -68.99 -28.76 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.802 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -69.31 -23.78 63.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 74.25 111.184 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.847 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 74.129999999999995 111.115 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.902 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.9 m -154.46 153.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.530000000000001 111.144 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -87.06 155.46 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.114 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.7 -49.05 63.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.89 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.62 -47.23 52.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 75.219999999999999 112.443 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.09 -51.13 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 75.319999999999993 110.876 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.85 -49.5 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 70.439999999999998 110.879 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -60.16 -52.27 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.92 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -19.23 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 75.430000000000007 110.83 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -93.25 -34.32 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.439999999999998 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -27.5 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.922 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.15 -27.89 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 64.430000000000007 111.15 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -90.61 10.93 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 110.849 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -132.02 -71.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.120000000000005 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 -34.01 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.9 t0 69.15 64.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.863 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.27 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.549999999999997 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.8 -45.92 62.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 62.049999999999997 111.122 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.72 -34.18 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.450000000000003 111.132 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -33.6 66.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 65.140000000000001 112.499 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.99 -33.95 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 75.019999999999996 111.174 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -51.74 -30.91 24.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.140000000000001 110.924 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 mtm -58.75 -34.51 71.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.931 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -73.47 -55.05 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.62 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 111.1 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -27.78 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.903 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -51.87 -33.41 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.349999999999994 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -114.02 32.86 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.010000000000005 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.23 67.34 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 72.329999999999998 112.495 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.47 -26.44 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 73.430000000000007 110.941 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 m -116.94 119.4 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 75.549999999999997 111.133 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.13 5.37 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 71.140000000000001 110.879 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.876 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -91.09 122.13 33.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -51.89 127.23 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.86 -7.79 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 64.329999999999998 112.459 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -122.0 -53.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 75.200000000000003 110.9 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.62 14.28 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.310000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -59.44 -26.5 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.832 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -69.11 -20.71 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.8 115.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.128 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -90.45 121.89 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.01 109.25 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.209999999999994 111.157 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.6 113.7 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 111.177 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.8 105.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.965 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.4 mt -95.94 84.38 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.895 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 110.867 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -68.72 -42.8 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.219999999999999 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -41.55 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.902 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.12 -20.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 74.400000000000006 111.11 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.32 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.510000000000005 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.98 -54.04 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -47.94 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 65.310000000000002 110.865 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.65 -38.07 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.319999999999993 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -53.89 -42.59 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.927 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.79 -39.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.118 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.52 -31.23 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -69.87 -24.27 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.200000000000003 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -71.81 -27.1 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.140000000000001 111.13 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.6 mtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.907 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 75.510000000000005 111.106 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -146.31 139.33 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 71.239999999999995 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -155.17 151.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 111.181 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -84.22 154.16 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.147 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.86 -47.66 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.59 -47.3 52.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.731 . . . . 44.100000000000001 112.474 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.3 -50.69 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 72.519999999999996 110.901 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.85 -49.26 68.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.982 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -60.66 -52.13 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 110.916 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -18.66 29.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 75.450000000000003 110.833 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -93.54 -34.44 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.040000000000006 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.89 -26.92 43.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.936 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.31 -27.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -90.49 10.82 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.2 mt -131.99 -71.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 75.129999999999995 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -34.03 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 69.26 64.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.41 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -54.21 -45.38 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.114 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.14 -37.53 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.13 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.84 -33.12 79.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 72.530000000000001 112.515 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 mt -76.78 -33.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.099999999999994 111.141 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.59 -30.95 22.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.919 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -59.86 -35.33 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -70.65 -55.0 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.88 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.36 68.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -27.61 69.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -51.74 -33.64 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -114.06 33.36 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.883 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.94 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 75.310000000000002 112.457 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.12 -25.94 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 65.230000000000004 110.941 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.54 117.37 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.400000000000006 111.113 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -85.99 5.14 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 74.109999999999999 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 110.846 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 75.109999999999999 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -89.2 125.68 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.140000000000001 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 121.16 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 73.140000000000001 110.903 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.96 56.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 74.299999999999997 112.456 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -122.04 -52.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 72.209999999999994 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.19 14.21 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.892 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.44 -26.54 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 62.32 110.863 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -71.48 -19.18 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.84 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.5 123.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.64 109.55 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 70.519999999999996 111.158 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.66 111.79 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.27 105.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.9 mt -93.47 85.26 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.310000000000002 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 72.299999999999997 110.891 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.859 0.361 . . . . 74.340000000000003 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -68.63 -44.75 73.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -42.72 87.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -57.87 -21.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 73.129999999999995 111.13 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.64 8.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.882 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.12 -54.13 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 -46.77 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.430000000000007 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -47.69 -38.14 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -53.74 -43.02 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.1 t -76.14 -41.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.109999999999999 111.15 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 mm -61.73 -31.13 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.450000000000003 111.101 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -23.02 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 p -78.31 -22.01 48.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 111.128 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.848 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.797 0.332 . . . . 75.120000000000005 111.118 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -148.16 139.2 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 72.049999999999997 110.903 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 m -157.26 150.97 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 111.09 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -86.52 156.39 20.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 72.340000000000003 111.155 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -47.32 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 110.874 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.77 -47.55 52.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 72.030000000000001 112.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.99 -50.86 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 73.409999999999997 110.894 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.78 -47.6 70.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.530000000000001 110.915 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -61.94 -52.24 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.549999999999997 110.865 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -18.06 28.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 110.821 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -93.66 -34.8 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.875 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -26.99 44.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 75.030000000000001 110.917 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.26 -28.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 71.310000000000002 111.103 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -90.06 10.79 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -131.82 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 111.119 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.2 -33.86 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 60.310000000000002 110.896 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 69.18 66.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.510000000000005 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.98 -45.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 73.150000000000006 111.125 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.34 -35.77 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.12 -31.83 66.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 62.140000000000001 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mt -76.86 -35.57 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 64.219999999999999 111.174 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.5 mt -52.18 -35.3 48.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.93 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.96 -28.38 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.409999999999997 110.836 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -50.85 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.22 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -27.85 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 110.888 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -51.84 -33.48 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.955 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -114.04 31.89 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 110.886 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 66.77 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 72.230000000000004 112.547 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.39 -27.98 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 71.150000000000006 110.908 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 m -113.44 121.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 111.144 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 7.82 29.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.892 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.778 0.323 . . . . 74.109999999999999 110.931 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -101.11 122.51 43.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.889 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.41 116.96 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 74.340000000000003 110.946 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 -11.4 56.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 74.109999999999999 112.501 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -122.11 -55.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.519999999999996 110.933 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.13 14.14 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 110.899 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.76 -26.49 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -18.31 56.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 61.340000000000003 110.85 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.9 t -55.8 115.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 111.1 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.73 121.15 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 111.164 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.82 109.39 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 111.161 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.41 113.02 26.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 70.510000000000005 111.136 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 tp -48.96 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.299999999999997 110.898 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.5 mt -96.41 89.38 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.340000000000003 110.9 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.872 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.529 -0.228 . . . . 62.530000000000001 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.58 179.75 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 54.43 111.124 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 mmt -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.845 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.55 -169.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 71.5 111.098 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -89.58 -31.84 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.78 40.32 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 71.209999999999994 111.052 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -54.39 -32.34 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 110.85 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.1 -25.97 52.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.08 0.31 41.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 63.439999999999998 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.81 -41.69 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.123 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -145.34 126.09 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 74.420000000000002 110.858 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -57.77 -41.87 82.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.8 mm -55.56 -22.03 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 111.166 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.5 ttp -47.67 -30.42 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.886 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.32 -51.24 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.925 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.37 -49.98 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 t -47.44 -38.74 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -53.74 -42.88 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.886 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.3 t -76.36 -41.8 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 111.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mm -60.55 -33.17 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.136 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.65 -24.77 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.836 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 p -77.21 -43.68 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 111.119 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 mmt -72.56 -57.33 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.854 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.91 127.37 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 72.299999999999997 111.114 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -84.86 1.73 45.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.862 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -56.21 -23.16 33.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.409999999999997 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -30.44 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.219999999999999 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.76 84.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 74.099999999999994 110.878 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -32.3 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.310000000000002 110.836 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.71 -113.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 70.129999999999995 112.482 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -54.8 153.42 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 64.219999999999999 110.888 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -123.04 150.81 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.116 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -149.21 140.44 23.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -154.38 149.45 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.430000000000007 111.151 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.7 p -83.33 153.88 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 111.175 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.87 -50.71 60.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.14 46.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 50.109999999999999 112.466 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.94 -50.34 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 75.319999999999993 110.933 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -53.75 48.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 71.109999999999999 110.921 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -57.0 -50.95 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -18.7 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.450000000000003 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -94.52 -34.47 12.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.7 -25.95 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.931 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.33 -27.89 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.409999999999997 111.11 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.82 10.71 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -131.79 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 74.040000000000006 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.81 -32.65 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 64.310000000000002 110.886 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t0 68.65 63.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 74.430000000000007 110.861 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.14 38.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 75.150000000000006 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.31 -45.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 75.420000000000002 111.081 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.31 -35.15 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 111.117 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -32.83 65.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 55.100000000000001 112.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mt -77.08 -32.55 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 74.319999999999993 111.132 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.78 -31.08 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.912 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -34.78 73.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.855 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -67.88 -46.65 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.430000000000007 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.53 80.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 50.210000000000001 111.123 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -58.43 -27.49 64.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -51.97 -30.94 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.299999999999997 110.867 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -113.96 24.84 11.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.93 66.18 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 53.299999999999997 112.533 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -114.02 -17.69 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.540000000000006 110.925 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 m -112.51 116.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -84.41 3.11 37.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.85 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.24 161.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 70.239999999999995 110.885 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.12 160.5 20.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.530000000000001 110.86 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.27 164.21 38.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 62.299999999999997 112.52 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -82.26 -15.7 52.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 74.349999999999994 110.872 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 ptp -167.04 170.46 11.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.049999999999997 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -127.98 121.84 30.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 73.209999999999994 110.943 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -91.19 122.02 33.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.931 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 128.65 24.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 110.945 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.09 -6.53 83.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.039999999999999 112.476 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -122.17 -54.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 75.25 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 14.6 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.896 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.22 -26.17 50.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -20.82 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.857 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.51 114.77 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 70.430000000000007 111.12 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.6 t -93.3 112.3 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 111.186 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.59 109.2 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.52 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.329999999999998 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tp -49.18 105.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 73.540000000000006 110.951 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.6 mt -94.59 93.38 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.931 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.861 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.512 -0.235 . . . . 62.32 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.91 -170.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 74.109999999999999 111.081 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.72 124.95 29.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.883 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.69 -169.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 72.5 111.102 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -89.42 -31.31 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 110.846 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.72 40.16 26.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.26 -31.83 61.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 72.510000000000005 110.862 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.95 -24.72 59.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.420000000000002 110.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.17 0.45 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -79.45 -58.99 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 75.549999999999997 111.136 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -130.45 124.18 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 75.230000000000004 110.937 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -68.37 -43.05 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.299999999999997 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.73 -39.91 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.7 -22.91 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.129999999999995 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -52.54 -25.64 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.120000000000005 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -55.46 -52.81 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -47.63 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.44 -38.51 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 65.319999999999993 110.866 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.92 -42.05 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.91 -38.71 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 111.147 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.35 -29.88 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.146 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.68 -23.56 61.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.530000000000001 110.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -71.79 -44.09 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.134 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.9 mmm -82.29 -56.48 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 75.549999999999997 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 120.79 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 72.439999999999998 111.088 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -90.62 11.77 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -55.85 -22.47 25.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.824 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -31.08 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 52.329999999999998 110.855 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.6 ttm-85 -65.74 -36.83 84.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.809 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.96 -32.41 20.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 54.450000000000003 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 164.93 -114.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 35.240000000000002 112.484 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -73.16 153.46 40.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 73.239999999999995 110.896 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.85 153.02 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 111.148 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -148.99 139.94 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.140000000000001 110.91 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.75 149.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 111.157 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p -83.75 153.06 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 72.319999999999993 111.127 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.85 -49.28 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.94 -46.72 55.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 61.32 112.491 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.22 -51.3 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 75.049999999999997 110.906 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -50.83 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 63.130000000000003 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -59.83 -51.76 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 72.129999999999995 110.838 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -18.36 23.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -94.39 -34.76 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.854 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -25.9 44.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.030000000000001 110.939 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.34 -27.74 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 65.329999999999998 111.105 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -90.11 10.75 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -131.84 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.75 -33.08 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 110.848 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 t0 68.74 63.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 61.219999999999999 110.874 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.219999999999999 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.54 -45.63 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 73.040000000000006 111.106 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.9 t -55.33 -35.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 111.16 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -31.35 66.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 65.129999999999995 112.494 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.77 -35.83 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 75.140000000000001 111.128 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -51.77 -33.74 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 70.340000000000003 110.92 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 mtp -55.09 -30.12 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 110.914 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.41 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.854 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.21 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -27.6 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 71.329999999999998 110.845 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -51.55 -33.69 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -114.07 32.41 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.140000000000001 110.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.7 66.76 2.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 74.510000000000005 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.43 -27.27 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 75.109999999999999 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.54 120.31 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.139 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -4.69 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 60.240000000000002 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.98 161.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 64.340000000000003 110.877 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.21 174.46 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.888 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.19 -169.39 0.6 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 70.109999999999999 112.498 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -120.06 22.67 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 72.450000000000003 110.928 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 ptp -176.79 162.64 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.030000000000001 110.86 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.39 121.78 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.9 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -84.39 114.48 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.954 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.07 116.9 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 74.439999999999998 110.915 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -13.14 44.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 72.439999999999998 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -122.13 -53.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 73.5 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.08 14.17 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 110.882 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.14 -26.46 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -71.38 -19.75 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.71 114.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 70.310000000000002 111.124 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.68 111.34 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.420000000000002 111.123 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.92 109.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.178 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -100.43 111.43 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 111.091 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -48.35 105.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.939 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.7 mt -92.13 85.76 5.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.879 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 75.040000000000006 110.898 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.477 -0.249 . . . . 40.200000000000003 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.74 -60.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.120000000000005 111.07 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.1 mtp -141.73 -74.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.89 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 57.92 -169.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 70.400000000000006 111.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -90.63 -35.73 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.76 39.85 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 111.092 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.41 -31.74 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.519999999999996 110.901 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -77.27 -25.76 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.877 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.98 0.32 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.883 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -74.67 -34.89 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.230000000000004 111.115 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -153.57 124.84 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 71.230000000000004 110.954 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.64 -41.29 79.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.219999999999999 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.62 -41.53 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mm -55.53 -22.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.129999999999995 111.166 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -30.26 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.859 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -56.94 -50.31 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 64.430000000000007 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -50.85 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.62 -36.03 10.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.861 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.49 -42.81 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.349999999999994 110.9 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.75 -36.92 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.439999999999998 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.9 -35.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.099999999999994 111.145 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -65.58 -28.5 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.299999999999997 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -70.8 -36.05 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.6 mtm -76.88 -56.53 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 110.901 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.86 140.27 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 111.038 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -111.02 -75.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.832 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.19 -31.46 43.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -27.19 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.894 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -51.64 -29.08 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.868 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.37 -32.22 72.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.865 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.95 -112.47 0.88 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 70.430000000000007 112.495 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -90.52 153.04 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 75.420000000000002 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 mt -109.78 143.71 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 111.121 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.7 140.39 23.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -154.78 150.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.519999999999996 111.107 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.8 p -82.14 157.96 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 111.135 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.68 -45.97 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.92 -46.59 49.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 64.329999999999998 112.474 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.4 -49.21 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 64.409999999999997 110.913 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.35 -46.65 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -64.44 -53.28 50.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.875 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -18.02 26.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.833 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.150000000000006 110.854 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.92 -26.17 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.219999999999999 110.932 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -56.32 -27.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.099999999999994 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.81 10.69 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.866 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -131.78 -71.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 75.239999999999995 111.145 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -124.01 -32.43 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.149999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t0 68.5 62.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.829 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.75 -45.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 75.129999999999995 111.145 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.58 -35.28 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.040000000000006 111.149 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.02 -32.04 66.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 71.030000000000001 112.506 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.98 -34.07 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 73.540000000000006 111.146 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -51.68 -31.01 24.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.933 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.2 mtp -57.28 -32.7 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -70.95 -48.16 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 71.420000000000002 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.87 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 111.121 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -27.67 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.874 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -52.1 -31.26 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.530000000000001 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -113.79 23.64 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 74.310000000000002 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.79 67.32 2.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 63.25 112.5 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -114.0 -17.26 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 74.239999999999995 110.913 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 m -113.0 116.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 75.209999999999994 111.122 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.56 3.23 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 71.310000000000002 110.844 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.01 161.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.87 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -105.27 153.43 21.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 71.209999999999994 110.914 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.23 155.74 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 55.539999999999999 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.43 -18.1 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.337 . . . . 74.25 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 32.3 mtp -151.86 165.04 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.239999999999995 110.904 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.2 mt -128.77 121.96 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -92.81 129.7 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.450000000000003 110.903 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -60.32 119.23 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.69 -13.54 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 62.549999999999997 112.467 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -122.11 -43.93 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 74.519999999999996 110.904 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.82 14.33 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 110.858 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.84 -26.37 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.848 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -73.66 -18.79 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.099999999999994 110.851 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.7 114.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.138 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -91.65 113.22 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 71.549999999999997 111.089 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.61 109.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.340000000000003 111.098 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.93 112.15 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.152 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.76 105.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.903 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.71 87.47 5.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.430000000000007 110.914 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.451 -0.26 . . . . 64.340000000000003 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.0 -177.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 75.219999999999999 111.107 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.18 147.2 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 -169.77 2.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 63.219999999999999 111.112 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.77 -42.54 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.040000000000006 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.59 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 111.089 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -55.02 -33.0 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 74.030000000000001 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -22.74 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 70.239999999999995 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -82.14 1.52 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.854 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -87.12 -52.95 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -126.6 117.57 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.2 79.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 74.239999999999995 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.28 -40.52 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.904 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.72 -20.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.200000000000003 111.128 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttt -52.37 -25.4 9.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.849 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.85 -54.19 45.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.030000000000001 110.916 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -46.1 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 61.420000000000002 110.887 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -47.9 -38.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 55.229999999999997 110.847 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -53.98 -42.0 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.88 -37.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 72.230000000000004 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.3 mm -65.49 -34.23 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 111.165 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -27.49 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.869 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 p -72.32 -25.84 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.400000000000006 111.142 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.5 mtm -88.68 -57.2 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.35 147.62 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.140000000000001 111.062 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -116.0 -75.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.209999999999994 110.923 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -54.36 -25.91 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 110.83 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -26.95 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.230000000000004 110.865 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -51.29 -29.56 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.219999999999999 110.823 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.43 -32.23 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 62.240000000000002 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.18 -121.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 61.200000000000003 112.501 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -80.4 153.04 28.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 73.239999999999995 110.935 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -109.89 147.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.430000000000007 111.101 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -149.29 140.25 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.150000000000006 110.864 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.88 150.76 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 65.140000000000001 111.165 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.2 p -83.47 156.35 22.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.109999999999999 111.164 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.34 -46.13 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.874 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.06 50.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 74.310000000000002 112.463 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.57 -50.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 72.310000000000002 110.894 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.0 -45.81 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -65.12 -53.07 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -17.95 29.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 64.230000000000004 110.88 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -93.49 -34.75 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.824 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.82 -27.22 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.914 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.22 -27.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.549999999999997 111.176 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -89.96 10.69 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.905 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.79 -71.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.47 -34.0 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 64.450000000000003 110.866 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t0 69.25 66.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.239999999999995 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.77 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 63.530000000000001 110.92 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.02 -45.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.5 111.136 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -53.99 -34.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 111.114 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.09 -33.21 65.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 73.319999999999993 112.496 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.82 -32.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 64.519999999999996 111.14 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 mt -51.77 -31.16 25.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 74.329999999999998 110.903 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.4 mtt -60.38 -34.42 73.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.884 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -71.79 -55.02 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.875 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.65 -31.09 67.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.14 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -65.24 -27.89 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.010000000000005 110.843 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -51.89 -33.38 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.530000000000001 110.877 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -114.01 32.26 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.109999999999999 110.856 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.61 1.94 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 73.140000000000001 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -113.99 -24.56 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 72.230000000000004 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.14 118.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.122 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -88.21 8.24 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 63.149999999999999 110.836 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 161.08 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.049999999999997 110.884 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.99 160.25 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.310000000000002 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.27 146.89 1.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 53.240000000000002 112.489 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -72.29 -18.81 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.299999999999997 110.891 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.6 mtt -151.64 158.19 43.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.43 121.96 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.981 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -92.22 121.33 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.938 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 127.93 22.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.23 -7.68 80.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 51.450000000000003 112.496 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -122.26 -39.39 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 74.430000000000007 110.898 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 14.15 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.219999999999999 110.864 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -56.4 -26.18 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.540000000000006 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -69.22 -20.66 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.4 t -55.46 114.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.409999999999997 111.143 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.2 t -91.96 116.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.150000000000006 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.84 109.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -102.15 111.6 23.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.68 105.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.0 mt -94.73 85.24 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.899 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 63.350000000000001 110.907 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.464 -0.254 . . . . 74.430000000000007 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.79 -169.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 74.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.7 mtt -57.86 135.69 56.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 74.129999999999995 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.21 -169.78 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.239999999999995 111.101 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.77 -41.14 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.010000000000005 110.904 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 40.05 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.349999999999994 111.097 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -55.38 -32.8 62.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 110.851 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -77.45 -23.6 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 73.400000000000006 110.846 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -82.25 1.36 37.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 110.847 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -85.56 -59.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.049999999999997 111.172 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -117.39 117.84 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 73.150000000000006 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -68.69 -42.32 77.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.409999999999997 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.21 -41.18 83.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 61.329999999999998 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.44 -21.62 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.530000000000001 111.153 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.67 -25.87 8.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.340000000000003 110.873 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.06 -53.64 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.4 -45.7 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.895 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.72 -38.7 15.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 72.030000000000001 110.896 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.75 -42.15 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.848 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.97 -39.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.146 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.59 -34.49 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -29.09 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.129999999999995 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 p -70.62 -29.64 66.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.18 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mmm -83.58 -57.39 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.06 141.69 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 50.299999999999997 111.081 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.41 -76.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.895 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -55.05 -29.5 57.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.855 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -59.93 -25.95 65.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -50.95 -28.23 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.864 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.9 -32.23 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.902 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.63 -124.42 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 65.219999999999999 112.465 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -79.64 137.54 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.299 . . . . 75.099999999999994 110.935 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.7 144.76 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 111.158 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -147.42 139.78 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.954 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -154.5 151.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 74.239999999999995 111.121 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -84.19 156.28 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.049999999999997 111.119 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.38 -47.99 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.52 -47.44 51.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 70.140000000000001 112.48 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -65.87 -50.86 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 74.310000000000002 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.83 -51.58 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.109999999999999 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 71.230000000000004 110.86 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -18.55 23.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 61.420000000000002 110.91 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -94.47 -34.47 12.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 73.349999999999994 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -26.03 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.907 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.4 m -56.29 -27.91 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.230000000000004 111.131 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -90.19 10.93 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.85 -71.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.430000000000007 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 -33.41 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.844 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t0 68.78 64.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 110.878 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.72 -45.69 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.219999999999999 111.096 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.07 -36.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.549999999999997 111.107 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.43 66.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 74.519999999999996 112.446 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mt -76.72 -36.65 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 72.239999999999995 111.109 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.79 -30.99 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.872 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.4 mmm -56.77 -32.25 65.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.120000000000005 110.933 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -77.49 -41.09 40.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.896 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.28 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.399999999999999 111.072 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.08 -27.84 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.843 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -51.69 -33.47 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 110.944 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -114.1 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.349999999999994 110.826 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.28 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 75.120000000000005 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.94 -26.31 8.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 74.430000000000007 110.859 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -114.26 117.4 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 60.409999999999997 111.133 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -84.51 3.23 37.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.99 161.32 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 75.400000000000006 110.856 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.81 172.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 75.219999999999999 110.918 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.33 54.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 74.310000000000002 112.473 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -151.94 33.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 73.439999999999998 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 mmt 61.94 165.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.866 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.6 mt -127.48 121.78 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.010000000000005 110.937 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -100.47 128.14 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 110.904 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 122.93 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.09 58.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 74.340000000000003 112.457 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -122.0 -55.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 73.530000000000001 110.925 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -92.43 14.31 16.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.866 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.22 -26.46 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 60.399999999999999 110.839 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -17.69 59.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 70.409999999999997 110.823 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.68 112.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 111.145 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -87.52 113.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 71.420000000000002 111.13 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.1 108.91 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 111.113 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -101.28 112.44 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 70.310000000000002 111.087 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.55 105.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.945 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -93.2 85.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 65.510000000000005 110.91 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 110.884 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.512 -0.235 . . . . 74.120000000000005 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.99 -73.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 74.430000000000007 111.117 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.4 mtt -124.35 175.21 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 75.010000000000005 110.875 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.24 -169.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.010000000000005 111.096 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -91.16 -31.47 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.875 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.62 33.75 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 70.549999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -54.36 -31.13 53.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 75.329999999999998 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.01 -27.52 54.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.030000000000001 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.49 1.55 37.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 62.32 110.828 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mm -72.52 -40.18 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 70.140000000000001 111.154 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -150.83 128.88 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 70.450000000000003 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -44.13 72.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.97 -38.82 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.0 mm -58.69 -22.55 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 70.329999999999998 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.7 mtp -52.6 -25.3 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.239999999999995 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -54.84 -54.23 45.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 73.510000000000005 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -47.84 10.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 73.420000000000002 110.892 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.28 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 61.530000000000001 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.98 -42.3 68.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.219999999999999 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.94 -39.96 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 111.11 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.84 -36.67 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 111.134 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.51 -27.65 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.019999999999996 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -74.59 -32.32 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.240000000000002 111.131 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -51.65 10.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 63.43 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.63 148.85 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 111.07 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -114.97 -75.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 75.420000000000002 110.875 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -57.67 -25.95 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.209999999999994 110.832 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.2 -26.87 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.109999999999999 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -51.64 -27.78 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -32.09 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.08 -121.73 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 71.450000000000003 112.482 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -78.59 130.51 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 72.450000000000003 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.32 146.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.420000000000002 111.11 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -147.72 140.06 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 m -153.89 151.63 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.120000000000005 111.167 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 p -85.72 154.83 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 111.13 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.09 -48.57 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.95 -47.21 54.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 74.120000000000005 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.2 -51.26 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 73.049999999999997 110.875 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 110.905 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -58.93 -52.39 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.409999999999997 110.879 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.07 -19.4 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.95 -33.94 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -26.17 43.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.549999999999997 110.9 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.0 m -56.16 -28.19 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.430000000000007 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -90.18 11.08 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 72.420000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -131.91 -71.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.138 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -126.82 -33.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.854 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 68.91 64.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 110.832 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.86 36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.9 -45.55 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.530000000000001 111.111 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.69 -39.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 111.148 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.38 -33.21 84.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 52.039999999999999 112.491 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -76.94 -33.96 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 73.409999999999997 111.161 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 mt -51.89 -30.98 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.0 mtm -59.5 -34.02 72.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.54 -55.09 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.329999999999998 111.112 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -64.48 -27.69 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -51.73 -33.46 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -114.09 33.24 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.825 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.83 67.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 74.540000000000006 112.467 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.02 -26.98 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 72.030000000000001 110.951 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -117.71 119.16 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 74.049999999999997 111.121 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -87.19 7.28 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.852 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 161.24 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.889 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.42 -173.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.98 -169.81 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 55.520000000000003 112.51 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 60.28 34.6 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 75.040000000000006 110.864 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 mmt 55.45 -176.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.56 124.35 29.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -91.32 125.1 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 120.95 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.915 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.98 -15.75 47.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 73.439999999999998 112.462 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -122.13 -49.77 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 74.540000000000006 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.43 14.25 21.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.310000000000002 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.56 -26.35 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -71.9 -18.66 62.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.857 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.1 t -55.71 114.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 111.134 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -90.86 117.43 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 111.176 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.05 109.37 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.400000000000006 111.168 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.71 112.49 25.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 71.409999999999997 111.13 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.39 105.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 74.549999999999997 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -93.32 85.63 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.932 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.453 -0.259 . . . . 61.439999999999998 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.18 -175.12 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.334 . . . . 71.219999999999999 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.3 mtp 52.36 38.13 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 70.25 110.865 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 65.120000000000005 111.104 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.87 -35.03 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.845 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.81 34.6 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.549999999999997 111.099 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -53.8 -32.56 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 110.934 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.35 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 110.895 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.04 0.43 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.23 -52.49 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 111.132 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -132.21 125.8 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 75.140000000000001 110.917 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -69.19 -43.47 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.54 -39.0 78.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mm -56.0 -21.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.530000000000001 111.138 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptm -47.8 -30.07 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.876 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.16 -50.84 70.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.43 -50.39 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.2 t -47.61 -37.04 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.912 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -55.42 -42.57 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.862 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.9 t -75.87 -36.77 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 72.409999999999997 111.153 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.9 mm -66.47 -34.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -65.97 -29.12 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -69.49 -34.15 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 111.173 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 mtm -79.84 -57.01 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.868 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.34 138.36 37.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.414 . . . . 71.430000000000007 111.064 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -111.23 -75.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -31.46 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.099999999999994 110.826 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -54.74 -26.94 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -51.55 -27.56 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.519999999999996 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.09 -32.17 71.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.47 -116.58 1.38 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 74.510000000000005 112.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -90.86 138.59 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 74.150000000000006 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.76 140.52 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 111.166 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -145.84 140.4 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 72.120000000000005 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -154.66 151.06 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.131 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 p -82.92 159.08 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.129999999999995 111.116 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.23 -45.71 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.88 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.96 -45.98 50.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 75.400000000000006 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.47 -49.13 57.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 63.200000000000003 110.861 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.87 -43.72 73.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.901 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.99 -53.06 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 74.319999999999993 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -17.05 24.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -94.25 -35.62 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 110.859 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -26.08 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.230000000000004 110.89 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.25 -27.89 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 72.129999999999995 111.146 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -89.67 10.69 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.76 -71.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 111.096 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.36 -32.54 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t0 68.54 62.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.14 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.049999999999997 110.881 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.43 -45.49 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 111.131 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.47 -35.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 75.239999999999995 111.137 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -31.82 66.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 61.299999999999997 112.493 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.93 -34.07 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 70.299999999999997 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.4 mt -51.74 -32.55 31.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.872 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.2 mtt -55.63 -31.21 62.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -73.49 -48.22 35.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.73 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 111.135 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -64.72 -27.84 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.409999999999997 110.876 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -52.01 -35.5 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -108.06 23.47 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.95 66.96 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 53.520000000000003 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.02 -17.03 12.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 71.209999999999994 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.84 116.79 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 111.099 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -83.69 2.08 39.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.852 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.52 161.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.23 158.74 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.200000000000003 110.914 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 163.99 38.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 64.219999999999999 112.499 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.03 -15.74 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.129999999999995 110.886 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.7 170.04 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 64.5 110.868 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 mt -127.57 122.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -96.15 130.47 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.409999999999997 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.9 123.58 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.25 110.893 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.78 -3.14 87.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.239999999999995 112.535 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -122.22 -37.07 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 75.430000000000007 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.44 14.49 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.903 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.68 -26.24 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.319999999999993 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -72.17 -20.89 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.861 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.6 112.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.096 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.2 t -90.1 111.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 111.124 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.4 109.17 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 72.340000000000003 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.96 111.71 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.096 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.58 105.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.953 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.2 88.69 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 63.509999999999998 110.88 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 63.350000000000001 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.51 -64.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 75.420000000000002 111.12 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtm -121.46 88.93 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.549999999999997 110.866 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.46 -169.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 111.073 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -90.18 -38.72 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.61 40.37 27.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 111.102 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -56.0 -32.26 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.856 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -25.75 50.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.28 1.11 38.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.540000000000006 110.896 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -75.46 -56.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 111.11 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -132.33 129.56 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 75.439999999999998 110.918 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -68.5 -43.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.049999999999997 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -57.15 -39.67 75.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.911 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.49 -25.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 62.240000000000002 111.171 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.9 mtp -53.13 -25.09 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 60.140000000000001 110.873 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -54.74 -53.36 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 74.409999999999997 110.876 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.23 -45.3 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.93 -38.61 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.209999999999994 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -54.15 -42.08 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.129999999999995 110.862 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -75.85 -36.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.117 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -66.27 -35.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.096 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -27.13 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 63.030000000000001 110.871 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 p -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 75.209999999999994 111.127 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.9 mtm -85.38 -57.3 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.855 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.42 149.42 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 111.093 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.19 -75.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.918 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -54.75 -25.51 28.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.898 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -54.05 -27.13 30.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.865 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -51.59 -28.42 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.43 -32.13 72.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.319999999999993 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.68 -118.39 0.91 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 70.140000000000001 112.461 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -83.65 153.15 24.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 71.409999999999997 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -109.89 146.33 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 111.109 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.68 140.2 24.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 70.030000000000001 110.915 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -153.93 151.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.084 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 p -82.98 156.52 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.127 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.48 -46.18 80.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.99 -46.45 50.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 71.450000000000003 112.483 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.4 -49.19 61.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.29 -46.86 72.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 110.848 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -64.32 -53.29 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.53 -17.96 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 74.409999999999997 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -94.13 -35.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.844 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -26.27 44.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 110.928 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 m -56.28 -27.81 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 72.140000000000001 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -89.7 10.66 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.209999999999994 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mt -131.76 -71.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.866 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 t0 68.52 62.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.299999999999997 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.57 -45.49 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 72.5 111.137 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.63 -35.44 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 70.140000000000001 111.158 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.99 -31.34 66.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.735 -0.745 . . . . 62.130000000000003 112.514 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.78 -36.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 75.340000000000003 111.117 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -51.77 -31.01 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.64 -30.43 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -79.04 -54.13 6.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.92 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.150000000000006 111.094 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -64.56 -27.88 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -51.9 -33.45 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -114.0 32.75 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.876 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.97 67.74 1.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 65.519999999999996 112.497 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -114.06 -25.33 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 73.239999999999995 110.891 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.34 116.94 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.096 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -84.85 3.7 36.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.878 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.72 161.23 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.030000000000001 110.879 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.87 -173.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 52.030000000000001 110.881 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.59 -170.96 24.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.495 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 62.05 28.69 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 72.239999999999995 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.7 mtt 59.25 -175.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 73.230000000000004 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 mt -129.65 121.97 28.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.010000000000005 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.23 131.36 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.01 117.69 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.947 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.26 -13.99 47.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 60.109999999999999 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -122.03 -40.84 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 75.450000000000003 110.924 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.1 14.36 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 72.209999999999994 110.849 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.32 -26.41 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 54.549999999999997 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -75.73 -17.55 59.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 110.88 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.77 114.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 111.11 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.5 t -89.29 115.37 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.66 109.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 73.409999999999997 111.1 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 111.139 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -48.16 105.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 75.25 110.94 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.8 mt -94.17 85.43 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.936 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.475 -0.25 . . . . 63.32 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.06 -176.46 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 65.540000000000006 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mtm -53.86 157.37 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.914 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.79 -169.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 70.329999999999998 111.138 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -91.51 -33.62 15.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 72.209999999999994 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.82 34.86 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 54.520000000000003 111.092 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.33 -32.5 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.19 -22.82 51.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 65.010000000000005 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -82.15 0.97 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.18 -43.27 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -144.72 127.73 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 73.120000000000005 110.862 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -44.02 75.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -41.21 84.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.889 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mm -57.87 -21.44 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 111.146 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttt -52.35 -25.52 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.019999999999996 110.874 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.89 -54.06 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 74.239999999999995 110.869 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -48.32 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 72.450000000000003 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.3 t -48.09 -34.81 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -58.07 -41.86 84.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.854 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.73 -33.58 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 111.093 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.31 -35.83 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 63.530000000000001 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -20.28 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.340000000000003 110.899 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -79.26 -23.24 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 111.178 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.51 -53.44 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 65.400000000000006 110.937 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 153.86 20.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 111.121 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.66 61.37 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 110.89 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.63 -23.96 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -38.75 31.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 110.934 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.13 -2.2 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.73 16.05 24.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.26 -103.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.494 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -67.26 153.19 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 73.230000000000004 110.898 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.84 136.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 111.142 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -146.87 139.44 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 110.921 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -154.35 151.57 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 75.319999999999993 111.143 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -84.54 154.94 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 111.166 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.5 -49.42 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.849 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.9 -47.53 53.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 41.439999999999998 112.462 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.35 -51.12 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 72.439999999999998 110.89 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -50.79 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 75.319999999999993 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -58.8 -51.19 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -18.83 26.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 64.409999999999997 110.845 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -93.77 -34.51 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -26.75 44.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 74.140000000000001 110.936 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.33 -27.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.519999999999996 111.152 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.48 10.95 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.9 mt -132.14 -71.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 75.409999999999997 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 -34.08 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t0 69.13 64.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.329999999999998 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.5 35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.876 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.99 -45.73 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 73.439999999999998 111.148 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.0 t -53.87 -35.07 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.66 65.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.329999999999998 112.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -77.01 -32.77 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 75.109999999999999 111.134 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.0 mt -51.56 -33.35 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.896 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.46 -36.3 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.882 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -67.31 -49.56 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.846 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.03 71.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 111.144 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -64.96 -27.75 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.824 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -51.74 -33.34 34.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -114.14 33.12 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.310000000000002 110.848 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.32 67.44 1.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 70.340000000000003 112.516 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.0 -25.4 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 75.310000000000002 110.906 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 m -114.52 123.14 69.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.138 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.06 13.2 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.12 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.530000000000001 110.89 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.86 -174.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.409999999999997 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.77 65.86 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 74.310000000000002 112.476 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -151.83 32.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mtt 65.96 147.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 72.519999999999996 110.876 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -112.3 122.24 47.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.450000000000003 110.901 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -114.78 127.02 55.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.963 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 124.02 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.99 -5.69 78.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 75.109999999999999 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -122.13 -55.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 75.120000000000005 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.54 14.27 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.873 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.19 -26.44 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -72.51 -19.08 61.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.61 115.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 111.105 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -92.31 111.0 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.549999999999997 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.04 109.6 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.329999999999998 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.94 112.27 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tp -48.25 105.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -93.31 85.32 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.939 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.882 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.462 -0.255 . . . . 64.5 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.36 177.93 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 73.430000000000007 111.083 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.4 mtt -64.04 129.14 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.230000000000004 110.885 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.19 -169.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 72.409999999999997 111.07 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -89.38 -31.63 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.831 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.86 33.44 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 111.088 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -33.0 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 72.129999999999995 110.883 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.45 -23.14 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.109999999999999 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.07 0.77 39.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 75.450000000000003 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.4 mm -76.5 -29.1 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 111.1 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -154.47 126.58 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -43.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 75.019999999999996 110.868 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.76 -41.88 82.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.54 -22.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 111.116 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpp -47.84 -30.42 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.848 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -55.91 -51.38 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.26 -50.56 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 73.019999999999996 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.77 -34.41 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.319999999999993 110.883 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.96 -43.79 81.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 110.899 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -76.0 -40.85 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 73.430000000000007 111.078 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.4 mm -63.54 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.310000000000002 111.093 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -67.01 -23.4 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.519999999999996 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -79.17 -27.68 42.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 62.420000000000002 111.146 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mmt -86.04 -48.48 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.904 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.1 157.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.340000000000003 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -102.04 65.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.349999999999994 110.875 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -53.47 -23.84 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.84 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -49.33 -39.47 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 110.856 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.19 -1.97 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 75.450000000000003 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -106.73 18.4 21.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.891 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.94 -103.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 53.350000000000001 112.441 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 153.11 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 72.5 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.45 135.31 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 111.153 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -146.07 139.71 26.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 75.540000000000006 110.937 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -155.77 146.57 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 111.151 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 p -80.76 155.01 26.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 111.173 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.65 -49.4 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.904 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.61 -47.45 52.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 64.450000000000003 112.525 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -65.79 -51.04 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 73.109999999999999 110.903 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.91 -51.45 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.86 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.66 -51.26 70.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.936 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -18.33 28.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 110.906 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.25 -34.12 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 73.040000000000006 110.864 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -26.32 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 110.878 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.37 -27.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.200000000000003 111.161 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -90.7 10.7 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 70.030000000000001 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.0 mt -131.75 -71.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 111.191 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -33.61 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 65.109999999999999 110.861 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 69.04 63.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 65.209999999999994 110.913 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.83 36.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.25 -45.5 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 111.144 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.87 -36.05 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.174 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.35 69.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 75.349999999999994 112.505 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mt -77.06 -32.3 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 74.540000000000006 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.5 mt -51.81 -31.5 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.8 mtp -58.72 -33.77 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 74.209999999999994 110.91 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -68.33 -51.53 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 54.210000000000001 110.883 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.19 -27.6 69.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 75.209999999999994 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -30.81 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.33 23.69 13.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.839 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 65.75 3.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 72.510000000000005 112.503 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.06 -18.23 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 71.310000000000002 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -112.97 116.74 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.200000000000003 111.121 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -82.12 0.29 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.540000000000006 110.89 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.16 161.27 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -54.65 175.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.37 52.08 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.520000000000003 112.507 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -152.0 33.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.907 0.385 . . . . 74.239999999999995 110.876 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.6 mmm 63.37 161.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 71.530000000000001 110.852 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.0 mt -125.84 121.85 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.918 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -93.07 121.51 34.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.865 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.95 125.16 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.420000000000002 110.957 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.52 -9.98 74.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 62.520000000000003 112.505 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -122.18 -55.06 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.323 . . . . 74.530000000000001 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.19 14.24 16.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.893 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.58 -26.23 61.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.540000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -21.57 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.865 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.57 114.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.209999999999994 111.113 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.31 120.13 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.239999999999995 111.127 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.84 109.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.135 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.69 111.86 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -49.1 105.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.916 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.59 85.62 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 64.400000000000006 110.897 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.939 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 72.310000000000002 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.49 -45.92 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 63.329999999999998 111.07 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -178.53 156.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.409999999999997 110.897 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.3 -169.91 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 74.430000000000007 111.102 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -90.31 -30.54 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.78 32.53 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.109999999999999 111.12 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -32.71 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -22.64 50.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.349999999999994 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -81.43 0.11 39.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 72.129999999999995 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 mm -75.59 -46.06 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.030000000000001 111.113 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -137.95 126.05 22.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 72.209999999999994 110.96 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -45.25 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.71 -39.11 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 64.530000000000001 110.866 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.25 -22.58 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -50.99 -26.09 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.109999999999999 110.909 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.83 -54.6 40.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 74.040000000000006 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -47.37 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.926 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -47.57 -38.07 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.319999999999993 110.844 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -53.9 -42.89 69.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.876 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.99 -41.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 63.399999999999999 111.088 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.82 -29.94 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 111.171 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -76.35 -22.83 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 111.13 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.94 -48.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 71.349999999999994 110.896 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.14 151.49 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 111.097 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -96.83 65.47 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.87 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -53.41 -23.88 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.430000000000007 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -49.36 -39.33 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.852 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.17 -2.03 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.71 17.22 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.209999999999994 110.865 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.96 -103.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 44.329999999999998 112.499 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -71.2 153.09 42.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 74.420000000000002 110.936 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.34 136.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 111.132 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -146.79 139.45 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.340000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -156.07 151.08 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 111.136 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -85.27 155.55 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 70.230000000000004 111.143 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -49.26 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 73.219999999999999 110.912 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.85 -47.25 53.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 65.099999999999994 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.93 -51.34 59.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 73.5 110.817 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -50.31 66.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 110.929 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -59.44 -51.43 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.13 -18.61 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.25 110.851 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -93.96 -34.69 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.889 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -26.59 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.030000000000001 110.906 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -56.2 -27.9 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.430000000000007 111.118 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -90.39 10.93 23.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.319999999999993 110.879 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.87 -71.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.146 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -126.22 -33.5 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.817 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 68.89 65.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.98 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 110.897 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.88 -45.79 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 74.519999999999996 111.12 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.69 -35.31 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -32.39 65.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 63.109999999999999 112.521 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.3 mt -76.92 -34.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 74.409999999999997 111.111 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.28 -32.49 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 51.420000000000002 110.923 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -74.33 -50.76 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.57 -31.99 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 52.409999999999997 111.068 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.02 -27.84 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.896 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.9 -33.5 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -114.06 32.67 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 72.019999999999996 110.854 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 68.13 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 74.25 112.463 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.04 -26.87 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.340000000000003 110.934 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.9 m -114.19 119.93 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 -0.1 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 110.862 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.84 161.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.924 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.75 160.81 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.519999999999996 110.899 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.4 160.21 35.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 45.210000000000001 112.489 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.67 -16.83 55.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 62.439999999999998 110.904 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.9 ptp -165.36 169.33 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -127.61 121.94 31.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 110.932 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.83 126.31 37.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.26 130.49 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.903 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.32 -1.99 83.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 63.329999999999998 112.513 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -122.15 -54.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 75.310000000000002 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.63 14.44 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.319999999999993 110.837 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.6 -26.4 55.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 45.329999999999998 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -70.63 -21.08 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.6 t -55.64 114.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.6 t -90.24 122.75 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.450000000000003 111.12 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.14 109.55 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 63.539999999999999 111.125 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.02 111.69 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.18 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.31 85.2 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 110.919 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.877 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.48 -0.248 . . . . 52.32 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.93 -175.85 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 74.349999999999994 111.12 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.2 mtm -57.69 -26.14 61.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 110.86 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.47 -169.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.329999999999998 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -91.0 -34.91 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.848 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.77 35.21 14.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 111.082 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -33.23 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.239999999999995 110.883 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -77.44 -25.43 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.400000000000006 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -4.3 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.150000000000006 110.847 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.2 mm -71.13 -41.59 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.019999999999996 111.11 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -139.48 126.69 21.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.430000000000007 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -44.85 71.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 75.540000000000006 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.93 -39.46 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.349999999999994 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.3 mm -56.36 -22.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 75.040000000000006 111.149 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.6 mtp -48.0 -30.25 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.845 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.69 -51.17 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.329999999999998 110.87 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -50.24 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.897 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -48.14 -33.33 8.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.864 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.03 -42.39 90.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.899 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -77.32 -34.05 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 71.25 111.147 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -69.94 -36.55 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 111.142 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -20.34 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.319999999999993 110.865 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 p -79.52 -30.26 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 111.162 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -53.21 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 65.049999999999997 110.873 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.17 152.93 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 111.083 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.79 62.33 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.887 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -53.65 -23.93 12.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.430000000000007 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -38.75 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.310000000000002 110.819 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -127.09 -2.29 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.209999999999994 110.901 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.71 16.53 24.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.13 -103.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 73.310000000000002 112.443 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -68.07 153.2 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 71.439999999999998 110.868 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.3 136.68 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 111.119 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -146.64 139.66 25.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 m -156.45 148.5 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.540000000000006 111.138 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.8 p -82.25 156.57 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -53.32 -48.73 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 74.230000000000004 110.844 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.4 -47.72 50.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 72.099999999999994 112.459 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.61 -51.11 62.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 75.310000000000002 110.867 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.79 -52.23 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 75.409999999999997 110.955 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -58.1 -51.32 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 110.875 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -18.83 25.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 74.219999999999999 110.871 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -94.2 -34.38 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.883 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -26.3 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.908 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -56.28 -27.71 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.549999999999997 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -90.65 11.0 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.5 110.896 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.1 mt -132.0 -71.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 73.420000000000002 111.13 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.59 -33.62 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.030000000000001 110.887 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t0 68.79 64.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 62.130000000000003 110.879 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 74.219999999999999 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.95 -45.64 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 111.096 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.92 -36.04 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 111.093 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.16 -32.21 65.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 52.25 112.478 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.98 -33.6 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 72.349999999999994 111.146 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.1 mt -51.72 -32.67 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.299999999999997 110.95 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 mtp -56.71 -33.05 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.299999999999997 110.928 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -70.17 -46.86 63.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.845 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.84 -30.51 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.540000000000006 111.098 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.13 -27.59 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.019999999999996 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -52.58 -29.81 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.030000000000001 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -113.99 23.75 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.010000000000005 110.851 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.92 66.35 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 71.409999999999997 112.484 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.01 -17.59 11.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 72.430000000000007 110.941 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.61 116.7 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.329999999999998 111.076 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -83.25 1.62 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.9 161.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.510000000000005 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.58 158.95 20.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.420000000000002 110.886 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.72 160.78 30.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.019999999999996 112.472 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.22 -16.1 55.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 64.239999999999995 110.929 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.54 169.08 20.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 65.209999999999994 110.936 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.0 mt -128.11 121.9 30.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 73.120000000000005 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -93.9 127.21 39.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.952 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -52.73 130.11 31.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.430000000000007 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.61 -2.12 83.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 74.129999999999995 112.483 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -122.12 -55.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 74.430000000000007 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.79 14.44 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.329999999999998 110.865 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -26.35 53.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 70.010000000000005 110.835 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.030000000000001 110.817 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.6 t -55.59 114.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.125 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -92.16 115.66 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 111.164 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.13 109.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.530000000000001 111.152 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.98 111.69 24.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 71.420000000000002 111.097 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tp -48.59 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 72.010000000000005 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.7 mt -92.83 85.87 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 110.959 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.908 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 73.150000000000006 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.39 174.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 73.439999999999998 111.094 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.3 mtt 57.9 50.37 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.871 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.08 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 73.439999999999998 111.096 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -88.96 -36.92 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 75.420000000000002 110.882 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.67 34.15 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 111.109 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -55.75 -31.21 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 72.540000000000006 110.908 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -22.99 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.856 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.32 0.65 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.239999999999995 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.97 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 65.530000000000001 111.129 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -132.73 120.7 22.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -68.94 -43.85 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.67 -35.7 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.05 -19.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.209999999999994 111.136 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -25.31 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.913 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -55.07 -57.62 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.150000000000006 110.905 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -46.06 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.951 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.0 t -47.96 -39.03 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.9 -41.86 68.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 64.400000000000006 110.83 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.09 -37.48 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.181 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.42 -35.37 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.430000000000007 111.155 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -64.93 -28.51 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.878 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -70.83 -37.84 73.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 111.111 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.8 mmm -75.57 -57.68 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 74.209999999999994 110.85 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.19 142.93 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 111.103 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -113.75 -75.86 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.530000000000001 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -26.8 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 70.150000000000006 110.881 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -54.87 -26.29 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.319999999999993 110.833 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.03 -27.08 7.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.109999999999999 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -61.12 -32.13 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 70.030000000000001 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.05 -120.59 0.94 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 72.129999999999995 112.517 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.78 153.29 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 74.120000000000005 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.3 146.81 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.97 140.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.530000000000001 110.86 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.48 150.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 111.109 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 p -82.56 158.07 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.132 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -55.97 -50.33 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.864 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.91 -48.1 46.12 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 74.230000000000004 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.92 -51.04 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 75.209999999999994 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -53.71 48.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.400000000000006 110.917 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -57.05 -50.17 73.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.450000000000003 110.886 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -18.32 22.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.894 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -95.34 -34.27 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -24.97 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.22 -27.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.115 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -89.75 10.75 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.200000000000003 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.8 mt -131.83 -71.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -32.33 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.876 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t0 68.42 60.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 71.129999999999995 110.85 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 40.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.51 -45.11 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 111.173 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -53.58 -42.23 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 111.15 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 -31.09 78.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 64.219999999999999 112.451 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.59 -34.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 73.25 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.6 mt -52.0 -30.97 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -76.98 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 75.209999999999994 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.97 -30.34 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 111.105 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -65.73 -27.78 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.851 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.87 -32.26 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -114.1 32.17 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.150000000000006 110.858 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 66.79 2.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 72.530000000000001 112.461 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.03 -25.35 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 65.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.6 m -118.03 117.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 111.134 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -83.95 2.57 38.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.897 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 161.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -55.15 176.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.409999999999997 110.913 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.09 54.93 0.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 72.129999999999995 112.505 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -151.83 33.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 65.519999999999996 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtt 63.0 162.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 74.239999999999995 110.905 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.7 121.8 31.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 72.409999999999997 110.915 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -91.28 121.13 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 74.310000000000002 110.913 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 127.69 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 64.329999999999998 110.908 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -7.74 81.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 72.319999999999993 112.477 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -122.28 -54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 74.519999999999996 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.23 14.39 18.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 74.349999999999994 110.867 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.12 -26.12 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -20.77 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.540000000000006 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.48 114.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.55 114.87 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 62.219999999999999 111.091 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.66 109.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -102.8 111.51 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.020000000000003 111.142 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tp -49.39 105.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.519999999999996 110.866 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.9 mt -95.36 85.58 4.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 74.510000000000005 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 70.420000000000002 110.925 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 72.540000000000006 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.72 -58.97 2.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 71.310000000000002 111.125 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -165.5 75.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.59 -169.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 111.087 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -90.96 -42.35 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 110.855 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.65 44.3 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 111.073 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -59.09 -33.79 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -77.32 -22.42 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.049999999999997 110.894 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.2 0.62 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.030000000000001 110.861 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mt -85.77 -59.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.049999999999997 111.145 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -119.25 120.01 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.934 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -40.85 78.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 75.209999999999994 110.898 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.13 -38.89 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.89 -22.13 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 75.129999999999995 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.4 mtt -52.97 -25.19 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 65.019999999999996 110.843 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.39 -53.42 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 72.329999999999998 110.925 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -46.84 12.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.450000000000003 110.925 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.22 -36.0 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.881 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 65.420000000000002 110.944 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.8 -32.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 73.219999999999999 111.139 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 mm -71.48 -35.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 111.139 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -65.61 -19.61 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -79.06 -24.78 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 111.141 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -91.11 -54.78 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 110.908 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.5 146.81 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.530000000000001 111.119 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -117.8 -76.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 110.863 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -57.28 -25.08 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -63.82 -25.83 68.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.867 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -50.97 -27.94 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.867 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -32.23 71.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.891 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.63 -125.28 1.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 60.340000000000003 112.491 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -77.97 134.41 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 73.209999999999994 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.16 146.88 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 72.019999999999996 111.131 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.51 139.86 24.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.86 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.87 151.22 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.097 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -84.95 154.53 22.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 72.319999999999993 111.123 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -53.3 -47.47 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.89 -47.01 54.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 54.25 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -67.01 -51.16 58.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 72.5 110.864 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.74 -50.02 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.947 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -60.51 -51.53 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 75.340000000000003 110.902 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.34 -18.34 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 73.120000000000005 110.876 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -93.3 -34.99 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.833 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -27.4 45.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.2 m -56.23 -28.0 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.450000000000003 111.109 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -90.28 10.88 23.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mt -131.97 -71.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 111.128 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -126.92 -33.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.11 67.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.209999999999994 110.857 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.72 34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 61.240000000000002 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.87 -46.09 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 73.040000000000006 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.34 -34.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 65.019999999999996 111.147 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -33.4 65.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 34.32 112.505 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.0 -33.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.420000000000002 111.123 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.5 mt -51.6 -31.79 26.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.129999999999995 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtt -60.59 -38.03 83.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.010000000000005 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.8 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.892 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.2 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.209999999999994 111.097 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -27.8 69.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.859 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -51.83 -32.81 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -114.11 32.7 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.319999999999993 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.71 66.55 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 61.240000000000002 112.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -114.0 -23.75 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 71.230000000000004 110.914 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 m -115.28 118.66 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 111.105 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.66 9.73 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.856 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.74 161.18 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -64.19 -173.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.17 -169.53 24.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 64.420000000000002 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 61.85 25.87 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 71.540000000000006 110.891 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 mtm 60.44 -174.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.9 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.7 mt -131.19 123.67 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 73.129999999999995 110.906 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -94.23 134.32 36.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.530000000000001 110.905 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.77 124.86 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.439999999999998 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.4 85.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 71.340000000000003 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -122.04 -36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 70.420000000000002 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.24 14.34 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 65.310000000000002 110.843 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.38 -26.27 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.530000000000001 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -19.14 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.856 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -55.57 114.6 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 72.099999999999994 111.117 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.2 t -89.72 113.28 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 111.123 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.07 108.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 111.081 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -100.29 112.16 24.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.07 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.3 mt -89.85 85.56 6.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.958 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 71.030000000000001 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.458 -0.257 . . . . 72.219999999999999 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.94 -58.36 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 74.120000000000005 111.119 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -165.15 -178.14 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.44 -169.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 111.135 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -91.61 -49.94 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 74.430000000000007 110.849 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.46 56.46 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 111.088 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -30.26 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.874 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.15 57.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.9 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -77.92 -3.93 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.25 110.874 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -84.61 -58.98 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.010000000000005 111.16 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -118.79 118.69 32.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.72 -40.56 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.409999999999997 110.823 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.85 -42.45 84.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.858 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.22 -22.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 111.109 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ttm -48.52 -29.1 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 110.895 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.7 -51.3 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 70.299999999999997 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -50.77 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 71.040000000000006 110.931 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.12 -37.89 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.909 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.16 -43.33 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.420000000000002 110.854 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.04 -40.08 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.549999999999997 111.113 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.65 -29.89 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.097 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -25.05 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.239999999999995 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -73.61 -44.65 56.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 70.340000000000003 111.161 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.4 mmm -76.26 -57.35 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.859 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.98 121.75 39.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.5 111.127 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.94 8.72 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.540000000000006 110.855 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.87 -22.58 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -31.51 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 110.902 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.62 84.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.310000000000002 110.874 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.96 -32.38 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 110.872 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 166.9 -113.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 72.439999999999998 112.429 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -73.99 153.59 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 75.150000000000006 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -105.76 152.15 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.151 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -150.25 139.86 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.854 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -155.22 152.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 65.310000000000002 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -85.18 153.85 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 74.019999999999996 111.201 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.77 -49.37 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 72.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.67 -47.22 52.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 75.340000000000003 112.47 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.43 -51.03 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 73.329999999999998 110.934 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -50.34 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.933 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.89 -52.11 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.863 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.09 -17.54 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -93.07 -35.49 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 110.893 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -25.56 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.914 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -56.14 -28.24 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.420000000000002 111.13 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.57 10.17 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.549999999999997 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mt -131.66 -71.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.409999999999997 111.144 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -30.37 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.853 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 68.22 60.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 65.409999999999997 110.911 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.349999999999994 110.881 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.94 -45.99 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 111.149 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.88 -43.52 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 62.210000000000001 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.49 82.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 64.209999999999994 112.454 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.0 -35.47 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 111.146 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -51.66 -30.94 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -39.56 72.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -63.49 -49.02 75.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.96 -30.48 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.319999999999993 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -27.31 68.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -52.47 -29.69 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.019999999999996 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -114.03 24.4 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.854 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.63 65.79 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 74.099999999999994 112.474 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.03 -18.19 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 72.319999999999993 110.874 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.21 119.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 111.12 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 7.81 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.893 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.85 161.19 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 64.439999999999998 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.68 -173.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.200000000000003 110.895 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.04 -175.73 24.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 74.310000000000002 112.461 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.24 35.66 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.382 . . . . 74.25 110.92 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 mmt 55.2 -175.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.892 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt -129.43 121.94 28.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.909 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -91.69 123.75 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 110.948 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 124.0 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 62.240000000000002 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.51 -17.36 53.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 53.310000000000002 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -122.17 -49.25 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 74.549999999999997 110.878 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.49 14.28 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 71.510000000000005 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.45 -26.38 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -18.61 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.65 114.82 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.111 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.25 112.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 75.430000000000007 111.171 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.21 109.33 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.115 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.85 113.09 26.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 111.158 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.35 105.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.932 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.1 mt -96.48 95.0 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.907 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.866 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 75.129999999999995 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.18 134.94 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 72.349999999999994 111.121 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 mtt 58.05 33.84 23.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 74.340000000000003 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.34 -169.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 70.340000000000003 111.061 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -90.25 -38.38 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.875 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.36 36.0 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 54.020000000000003 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -54.96 -33.67 62.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.913 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.09 -22.66 52.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 64.040000000000006 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -82.36 2.53 31.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 74.219999999999999 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.4 -37.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -137.24 118.57 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 73.329999999999998 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.18 75.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.56 -42.46 87.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 74.549999999999997 110.877 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.43 -20.55 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.129999999999995 111.127 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -25.95 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 110.86 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.01 -54.77 38.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 110.9 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -46.43 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 75.310000000000002 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -47.8 -38.45 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -53.77 -42.2 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.9 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.87 -40.68 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 111.108 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.7 -31.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.349999999999994 111.129 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -68.74 -24.28 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.905 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -74.06 -24.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.049999999999997 111.16 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.6 mmm -94.12 -52.54 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 110.904 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.67 158.17 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 54.350000000000001 111.082 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -103.92 64.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -23.85 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.846 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.21 -39.61 30.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 110.845 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -127.27 -1.91 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.845 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -106.82 18.49 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.859 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.85 -103.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 73.340000000000003 112.459 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -71.97 153.26 41.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 73.219999999999999 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -102.34 136.9 32.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 75.549999999999997 111.1 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -147.57 139.35 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 m -154.72 151.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 111.12 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 p -84.04 154.35 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 111.107 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.78 -48.96 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.109999999999999 110.911 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.14 -46.66 56.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 54.539999999999999 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.44 -51.4 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 62.509999999999998 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -50.0 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.03 -51.54 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -18.35 26.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.010000000000005 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.26 -34.63 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.79 -26.13 44.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.942 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 m -56.26 -27.78 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 72.439999999999998 111.136 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -90.3 10.78 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mt -131.86 -71.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 111.159 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.27 -33.53 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 110.861 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t0 68.99 63.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.872 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.12 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.5 -45.82 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 111.151 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.3 -35.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.165 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.89 66.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.481 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.74 -35.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 75.040000000000006 111.132 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.8 mt -51.7 -30.95 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.924 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.27 -33.84 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.883 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -74.61 -44.39 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.049999999999997 110.838 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.58 74.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 61.450000000000003 111.069 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -64.88 -27.81 69.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 70.510000000000005 110.839 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -51.82 -33.54 36.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.907 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -114.06 32.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 70.400000000000006 110.858 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.21 2.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.735 . . . . 73.129999999999995 112.485 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.03 -23.92 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 m -114.67 121.02 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 73.049999999999997 111.144 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -88.95 -4.6 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.420000000000002 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.74 161.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 72.219999999999999 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.01 161.13 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 74.409999999999997 110.917 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.13 159.71 34.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 75.310000000000002 112.509 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.73 -16.12 49.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 75.209999999999994 110.915 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 160.47 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.872 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt -119.07 121.95 41.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 73.150000000000006 110.923 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -91.5 121.4 33.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 74.030000000000001 110.906 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 125.34 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 110.938 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.96 -9.26 77.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 64.409999999999997 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -122.27 -55.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 71.530000000000001 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.03 14.42 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 53.140000000000001 110.87 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -56.26 -26.24 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -19.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.58 115.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -92.67 116.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.43 109.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 t -105.43 113.4 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 64.409999999999997 111.129 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.91 104.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 63.140000000000001 110.924 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.95 84.76 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.906 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.0 110.908 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.49 -0.244 . . . . 64.25 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.98 -77.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 70.319999999999993 111.148 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mtt -140.3 88.46 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.140000000000001 110.851 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.22 -169.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 111.075 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -92.22 -46.13 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 72.25 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.65 44.05 29.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.239999999999995 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -25.74 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 75.430000000000007 110.926 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.12 -26.7 53.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 75.329999999999998 110.88 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -82.4 1.69 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 63.509999999999998 110.846 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -75.89 -59.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 111.14 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.69 125.49 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -68.71 -42.97 76.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.927 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.78 -41.85 87.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.219999999999999 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.83 -20.59 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 111.134 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.3 ttp -52.01 -25.26 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.911 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.99 -53.76 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 70.519999999999996 110.874 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -47.08 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.510000000000005 110.919 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.12 15.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.7 -41.93 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 74.540000000000006 110.885 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.73 -36.78 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.099999999999994 111.157 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.53 -35.81 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 111.153 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -64.91 -27.49 68.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -72.95 -24.8 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 111.196 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.0 mtm -88.57 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.88 145.38 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.230000000000004 111.118 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -116.76 -75.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 72.519999999999996 110.886 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -24.02 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.864 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -65.83 -27.32 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.150000000000006 110.91 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -26.79 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.340000000000003 110.882 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.13 -32.03 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.57 -110.43 0.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 51.530000000000001 112.532 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -92.29 142.11 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 75.430000000000007 110.856 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mt -100.4 143.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.310000000000002 111.12 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -148.05 139.97 24.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 70.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -154.26 150.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.540000000000006 111.134 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 p -82.46 158.45 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 111.114 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.35 -46.77 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.56 49.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 75.5 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.93 -48.45 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 74.030000000000001 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.06 -48.09 73.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.409999999999997 110.934 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -63.07 -52.95 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.849 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -18.12 25.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 63.350000000000001 110.881 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -94.4 -34.77 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.862 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -25.98 44.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.129999999999995 110.932 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 m -56.28 -27.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 62.329999999999998 111.155 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -89.97 10.75 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.230000000000004 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.6 mt -131.8 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.139 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -124.57 -32.99 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 64.140000000000001 110.802 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.81 62.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 75.430000000000007 110.845 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.19 39.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.010000000000005 110.836 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.69 -45.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 51.009999999999998 111.142 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.64 -35.32 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.01 -31.52 66.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 73.319999999999993 112.456 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.81 -36.2 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.329999999999998 111.136 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.6 mt -51.77 -30.96 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.931 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 73.329999999999998 110.867 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -76.33 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.019999999999996 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.04 -31.14 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.510000000000005 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -66.42 -27.91 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -51.82 -32.98 33.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -114.11 29.49 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.88 68.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 62.310000000000002 112.54 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.37 -27.91 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 73.540000000000006 110.87 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.77 120.73 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 111.17 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.25 5.5 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.873 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.19 161.07 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.85 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.57 159.14 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.16 157.05 27.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 65.109999999999999 112.447 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.02 -16.64 56.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 64.420000000000002 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 164.94 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.853 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.31 121.92 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.319999999999993 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -90.38 119.58 30.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.549999999999997 110.927 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.44 128.84 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 75.409999999999997 110.932 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 -8.99 78.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 55.039999999999999 112.501 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -122.37 -52.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 74.239999999999995 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.66 14.16 21.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 110.86 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.17 -26.1 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 65.150000000000006 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -68.16 -20.74 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.52 114.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 111.131 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.46 118.31 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.59 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 111.109 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.86 111.92 24.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 tp -50.03 105.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.885 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 mt -97.83 89.28 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.030000000000001 110.914 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.450000000000003 110.878 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.244 . . . . 53.109999999999999 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.68 -170.49 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 74.409999999999997 111.065 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.9 mtm -63.24 166.17 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.439999999999998 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.04 -169.6 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 111.046 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -90.55 -35.05 15.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.78 31.2 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.420000000000002 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -53.01 -38.48 62.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 62.210000000000001 110.846 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -77.31 -22.83 51.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.899 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.64 3.15 30.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.877 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.36 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -116.91 121.87 42.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 73.209999999999994 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -69.35 -43.71 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 73.239999999999995 110.866 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.58 -42.34 87.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.905 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.48 -19.99 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 61.5 111.133 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.6 ttt -51.27 -25.47 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.019999999999996 110.857 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.07 -57.5 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 73.510000000000005 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -45.77 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.340000000000003 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 t -48.03 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.887 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.75 -42.4 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.150000000000006 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -76.05 -39.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 75.140000000000001 111.123 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 mm -64.21 -31.43 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.200000000000003 111.169 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -68.99 -28.76 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.802 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -69.31 -23.78 63.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 74.25 111.184 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -92.12 -54.18 3.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.847 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.5 167.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.349999999999994 111.083 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.875 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -23.77 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.844 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -38.47 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.857 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.28 -0.95 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -106.5 -11.92 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 75.140000000000001 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.95 -80.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 63.439999999999998 112.468 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -83.01 153.08 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 75.329999999999998 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.34 131.53 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 111.115 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.902 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.9 m -154.46 153.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.530000000000001 111.144 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -87.06 155.46 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.114 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.7 -49.05 63.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.89 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.62 -47.23 52.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 75.219999999999999 112.443 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.09 -51.13 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 75.319999999999993 110.876 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.85 -49.5 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 70.439999999999998 110.879 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -60.16 -52.27 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.92 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -19.23 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 75.430000000000007 110.83 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -93.25 -34.32 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.439999999999998 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -27.5 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.922 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.15 -27.89 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 64.430000000000007 111.15 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -90.61 10.93 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 110.849 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -132.02 -71.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.120000000000005 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 -34.01 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.9 t0 69.15 64.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.863 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.27 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.549999999999997 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.8 -45.92 62.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 62.049999999999997 111.122 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.72 -34.18 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.450000000000003 111.132 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -33.6 66.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 65.140000000000001 112.499 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.99 -33.95 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 75.019999999999996 111.174 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -51.74 -30.91 24.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.140000000000001 110.924 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 mtm -58.75 -34.51 71.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.931 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -73.47 -55.05 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.62 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 111.1 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -27.78 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.903 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -51.87 -33.41 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.349999999999994 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -114.02 32.86 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.010000000000005 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.23 67.34 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 72.329999999999998 112.495 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.47 -26.44 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 73.430000000000007 110.941 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 m -116.94 119.4 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 75.549999999999997 111.133 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.13 5.37 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 71.140000000000001 110.879 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.43 161.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.04 159.08 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.905 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.78 157.52 22.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 74.420000000000002 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.65 -17.18 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 74.230000000000004 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.81 168.89 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.340000000000003 110.849 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -130.33 121.85 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.929 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -91.09 122.13 33.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -51.89 127.23 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.86 -7.79 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 64.329999999999998 112.459 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -122.0 -53.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 75.200000000000003 110.9 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.62 14.28 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.310000000000002 110.847 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -59.44 -26.5 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.832 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -69.11 -20.71 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.8 115.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.128 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -90.45 121.89 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.01 109.25 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.209999999999994 111.157 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.6 113.7 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 111.177 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.8 105.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.965 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.4 mt -95.94 84.38 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.895 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 110.867 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 75.140000000000001 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.95 -77.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 72.239999999999995 111.105 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -160.0 59.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.030000000000001 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.16 -169.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 62.310000000000002 111.124 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -91.46 -33.45 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 74.319999999999993 110.851 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.73 35.81 16.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 70.310000000000002 111.116 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -32.87 65.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.36 -22.97 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 64.239999999999995 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.49 36.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 64.510000000000005 110.823 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mm -75.0 -43.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 75.040000000000006 111.148 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -143.79 128.62 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 74.510000000000005 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -68.72 -42.8 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.219999999999999 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -41.55 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.902 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.12 -20.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 74.400000000000006 111.11 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.32 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.510000000000005 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.98 -54.04 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -47.94 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 65.310000000000002 110.865 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.65 -38.07 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.319999999999993 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -53.89 -42.59 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.927 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.79 -39.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.118 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.52 -31.23 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -69.87 -24.27 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.200000000000003 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -71.81 -27.1 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.140000000000001 111.13 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.6 mtm -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.907 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.1 153.69 22.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.113 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -101.94 65.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 110.878 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -23.88 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.841 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -49.44 -39.0 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.439999999999998 110.834 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.07 -2.33 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 110.893 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.68 18.22 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.150000000000006 110.901 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.89 -103.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 65.140000000000001 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -71.76 153.11 42.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.81 0.338 . . . . 74.439999999999998 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -103.01 134.63 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 111.106 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -146.31 139.33 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 71.239999999999995 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -155.17 151.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 111.181 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -84.22 154.16 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.147 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.86 -47.66 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.59 -47.3 52.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.731 . . . . 44.100000000000001 112.474 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.3 -50.69 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 72.519999999999996 110.901 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.85 -49.26 68.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.982 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -60.66 -52.13 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 110.916 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -18.66 29.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 75.450000000000003 110.833 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -93.54 -34.44 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.040000000000006 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.89 -26.92 43.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.936 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.31 -27.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -90.49 10.82 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.2 mt -131.99 -71.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 75.129999999999995 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -34.03 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 69.26 64.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.41 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -54.21 -45.38 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.114 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.14 -37.53 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.13 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.84 -33.12 79.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 72.530000000000001 112.515 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 mt -76.78 -33.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.099999999999994 111.141 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.59 -30.95 22.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.919 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -59.86 -35.33 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -70.65 -55.0 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.88 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.36 68.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -27.61 69.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -51.74 -33.64 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -114.06 33.36 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.883 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.94 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 75.310000000000002 112.457 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.12 -25.94 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 65.230000000000004 110.941 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.54 117.37 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.400000000000006 111.113 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -85.99 5.14 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 74.109999999999999 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.4 161.2 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 110.846 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -173.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 71.109999999999999 110.873 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.55 -168.63 19.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 62.229999999999997 112.48 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 61.73 29.62 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 74.430000000000007 110.918 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.1 mtt 60.03 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 73.319999999999993 110.903 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.3 mt -131.21 123.01 27.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 75.109999999999999 110.909 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -89.2 125.68 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.140000000000001 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 121.16 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 73.140000000000001 110.903 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.96 56.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 74.299999999999997 112.456 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -122.04 -52.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 72.209999999999994 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.19 14.21 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.892 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.44 -26.54 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 62.32 110.863 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -71.48 -19.18 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.84 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.5 123.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.64 109.55 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 70.519999999999996 111.158 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.66 111.79 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.27 105.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.9 mt -93.47 85.26 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.310000000000002 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 72.299999999999997 110.891 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.51 -0.236 . . . . 73.439999999999998 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.09 -177.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 73.310000000000002 111.112 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.81 125.97 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 75.099999999999994 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.98 -169.8 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.140000000000001 111.094 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -91.11 -42.76 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.150000000000006 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.73 38.23 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 71.109999999999999 111.075 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -27.1 56.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 71.349999999999994 110.885 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -22.97 51.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 75.540000000000006 110.87 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -82.13 1.48 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.530000000000001 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.3 mm -79.78 -36.4 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 73.349999999999994 111.137 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -142.23 123.45 14.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.928 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -68.63 -44.75 73.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -42.72 87.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -57.87 -21.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 73.129999999999995 111.13 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.64 8.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.882 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.12 -54.13 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 -46.77 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.430000000000007 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -47.69 -38.14 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -53.74 -43.02 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.1 t -76.14 -41.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.109999999999999 111.15 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 mm -61.73 -31.13 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.450000000000003 111.101 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -23.02 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 p -78.31 -22.01 48.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 111.128 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.89 -45.8 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.848 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.59 151.19 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 75.010000000000005 111.114 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -94.0 64.37 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.120000000000005 110.854 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -23.9 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -49.42 -39.17 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.843 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.19 -1.86 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.929 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.73 17.36 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.71 -103.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 72.329999999999998 112.46 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -70.7 153.29 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 73.319999999999993 110.926 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 137.98 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.118 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -148.16 139.2 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 72.049999999999997 110.903 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 m -157.26 150.97 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 111.09 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -86.52 156.39 20.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 72.340000000000003 111.155 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -47.32 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 110.874 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.77 -47.55 52.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 72.030000000000001 112.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.99 -50.86 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 73.409999999999997 110.894 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.78 -47.6 70.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.530000000000001 110.915 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -61.94 -52.24 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.549999999999997 110.865 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -18.06 28.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 110.821 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -93.66 -34.8 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.875 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -26.99 44.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 75.030000000000001 110.917 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.26 -28.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 71.310000000000002 111.103 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -90.06 10.79 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -131.82 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 111.119 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.2 -33.86 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 60.310000000000002 110.896 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 69.18 66.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.510000000000005 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.98 -45.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 73.150000000000006 111.125 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.34 -35.77 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.12 -31.83 66.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 62.140000000000001 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mt -76.86 -35.57 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 64.219999999999999 111.174 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.5 mt -52.18 -35.3 48.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.93 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.96 -28.38 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.409999999999997 110.836 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -50.85 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.22 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -27.85 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 110.888 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -51.84 -33.48 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.955 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -114.04 31.89 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 110.886 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 66.77 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 72.230000000000004 112.547 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.39 -27.98 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 71.150000000000006 110.908 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 m -113.44 121.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 111.144 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 7.82 29.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -54.4 161.05 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.892 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.98 168.51 12.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.219999999999999 110.923 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.15 -157.93 3.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 61.229999999999997 112.488 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.28 24.07 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 63.43 110.925 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -176.69 169.34 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.895 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -137.01 125.13 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -101.11 122.51 43.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.889 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.41 116.96 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 74.340000000000003 110.946 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 -11.4 56.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 74.109999999999999 112.501 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -122.11 -55.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.519999999999996 110.933 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.13 14.14 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 110.899 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.76 -26.49 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -18.31 56.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 61.340000000000003 110.85 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.9 t -55.8 115.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 111.1 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.73 121.15 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 111.164 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.82 109.39 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 111.161 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.41 113.02 26.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 70.510000000000005 111.136 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 tp -48.96 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.299999999999997 110.898 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.5 mt -96.41 89.38 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.340000000000003 110.9 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.872 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 75.31 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.858 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -57.77 -41.87 82.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.983 HD12 HD13 ' A' ' 63' ' ' LEU . 33.8 mm -55.56 -22.03 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.01 111.166 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.5 ttp -47.67 -30.42 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.886 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.32 -51.24 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.925 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.37 -49.98 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 t -47.44 -38.74 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.3 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 23' ' ' THR . 13.7 t80 -53.74 -42.88 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 75.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 ' CE1' ' A' ' 44' ' ' TYR . 83.3 t -76.36 -41.8 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 65.41 111.114 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 25.3 mm -60.55 -33.17 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.42 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.65 -24.77 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.836 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.8 p -77.21 -43.68 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.02 111.119 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.854 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 73.41 111.116 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -149.21 140.44 23.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 21' ' ' ILE . 3.8 m -154.38 149.45 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.21 111.151 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 7.7 p -83.33 153.88 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.2 111.175 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.87 -50.71 60.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.14 46.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 50.11 112.466 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.94 -50.34 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 75.32 110.933 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.99 -53.75 48.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.35 110.921 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 23.6 t80 -57.0 -50.95 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.864 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -57.78 -18.7 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -94.52 -34.47 12.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 62.22 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.624 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.7 -25.95 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.931 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.1 m -56.33 -27.89 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.41 111.11 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.82 10.71 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -131.79 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.81 -32.65 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 50.13 110.886 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.7 t0 68.65 63.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 74.43 110.861 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.14 38.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 72.14 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.0 p -53.31 -45.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.081 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' N ' HG13 ' A' ' 51' ' ' VAL . 61.8 t -55.31 -35.15 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.117 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -32.83 65.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 55.1 112.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.1 mt -77.08 -32.55 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 72.13 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 64' ' ' VAL . 46.6 mt -51.78 -31.08 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.55 110.912 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -34.78 73.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.855 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -67.88 -46.65 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.9 -35.53 80.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 50.21 111.123 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -58.43 -27.49 64.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -51.97 -30.94 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 65.53 110.867 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -113.96 24.84 11.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.93 66.18 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 53.3 112.533 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 14' ' ' ILE . 1.4 tt -114.02 -17.69 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.54 110.925 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -112.51 116.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.174 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -84.41 3.11 37.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.85 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 63.12 110.885 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 79' ' ' VAL . 12.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.795 0.331 . . . . 72.33 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -91.19 122.02 33.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.931 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 128.65 24.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.14 110.945 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.09 -6.53 83.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 20.24 112.476 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -122.17 -54.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 71.03 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -94.9 14.6 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 63.53 110.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.22 -26.17 50.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.63 -20.82 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 63.52 110.857 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 71' ' ' LEU . 81.0 t -55.51 114.77 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 70.43 111.12 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 36' ' ' THR . 76.6 t -93.3 112.3 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.186 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.59 109.2 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.52 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tp -49.18 105.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 70.44 110.951 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 65' ' ' HIS . 48.6 mt -94.59 93.38 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 71.53 110.931 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 63' ' ' LEU . 23.9 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 45.52 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 74.03 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -68.37 -43.05 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.3 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.73 -39.91 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 63.11 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.3 mm -57.7 -22.91 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.24 111.107 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -52.54 -25.64 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -55.46 -52.81 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -47.63 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.05 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.44 -38.51 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 63.54 110.866 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.92 -42.05 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 44' ' ' TYR . 73.0 t -75.91 -38.71 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 60.22 111.147 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 19.7 mm -64.35 -29.88 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.146 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.68 -23.56 61.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -71.79 -44.09 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.134 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.901 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.615 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.2 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.757 0.313 . . . . 73.11 111.148 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -148.99 139.94 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.03 110.91 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 21' ' ' ILE . 6.4 m -153.75 149.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.157 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 80' ' ' VAL . 29.3 p -83.75 153.06 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 65.03 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.85 -49.28 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 64.44 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.94 -46.72 55.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 61.32 112.491 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.22 -51.3 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 73.53 110.906 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.74 -50.83 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 63.13 110.898 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -59.83 -51.76 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 51.15 110.838 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.03 -18.36 23.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.845 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -94.39 -34.76 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.854 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.66 -25.9 44.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 51.35 110.939 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.7 m -56.34 -27.74 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 63.11 111.105 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -90.11 10.75 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.11 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -131.84 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 72.44 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.75 -33.08 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 61.31 110.848 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.703 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.1 t0 68.74 63.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 61.22 110.874 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.54 -45.63 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 54.41 111.106 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 71' ' ' LEU . 60.9 t -55.33 -35.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.24 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -31.35 66.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 65.13 112.494 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.77 -35.83 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 75.14 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD22 HG11 ' A' ' 64' ' ' VAL . 48.4 mt -51.77 -33.74 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.24 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 mtp -55.09 -30.12 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.914 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.41 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.854 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -71.21 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.34 111.11 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -27.6 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 63.35 110.845 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -51.55 -33.69 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -114.07 32.41 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.7 66.76 2.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 72.15 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.43 -27.27 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 74.22 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.652 HG11 HD22 ' A' ' 55' ' ' LEU . 5.2 m -111.54 120.31 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.139 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -85.58 -4.69 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 51.34 110.879 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 62.33 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 52' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.819 0.342 . . . . 63.15 110.9 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -84.39 114.48 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.954 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.07 116.9 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 74.44 110.915 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -13.14 44.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 72.44 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -122.13 -53.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 73.5 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.08 14.17 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 60.5 110.882 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.14 -26.46 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -71.38 -19.75 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 71' ' ' LEU . 98.9 t -55.71 114.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 70.31 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 36' ' ' THR . 69.5 t -89.68 111.34 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 61.52 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.92 109.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.178 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.559 HG23 HD21 ' A' ' 84' ' ' LEU . 1.5 t -100.43 111.43 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 61.33 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 8.2 tp -48.35 105.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.939 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 33.7 mt -92.13 85.76 5.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.879 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.903 0.383 . . . . 71.23 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.64 -41.29 79.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.22 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.62 -41.53 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 52.42 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.96 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -55.53 -22.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.02 111.166 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -30.26 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.859 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -56.94 -50.31 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 64.43 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -50.85 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.62 -36.03 10.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.861 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 23' ' ' THR . 45.6 t80 -56.49 -42.81 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 44' ' ' TYR . 74.7 t -75.75 -36.92 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.02 111.115 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.655 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.8 mm -66.9 -35.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.1 111.145 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -65.58 -28.5 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.8 p -70.8 -36.05 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.155 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.672 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.6 mtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 64.23 110.901 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.784 0.326 . . . . 72.21 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.2 mp0 -148.7 140.39 23.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.915 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.1 m -154.78 150.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.52 111.107 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 80' ' ' VAL . 24.8 p -82.14 157.96 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.135 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.68 -45.97 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.92 -46.59 49.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 45.43 112.474 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.4 -49.21 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 54.35 110.913 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.655 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.35 -46.65 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.05 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.784 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.9 t80 -64.44 -53.28 50.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.62 -18.02 26.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 62.13 110.833 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 64.05 110.854 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.92 -26.17 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.932 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.5 m -56.32 -27.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.1 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.81 10.69 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.866 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -131.78 -71.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 70.51 111.145 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -124.01 -32.43 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.15 110.839 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t0 68.5 62.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.829 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.75 -45.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 71.12 111.145 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.4 t -55.58 -35.28 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.04 111.149 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.02 -32.04 66.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 71.03 112.506 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -34.07 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 51.53 111.146 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.68 -31.01 24.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 71.3 110.933 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.2 mtp -57.28 -32.7 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 64.04 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -70.95 -48.16 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.954 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.85 -30.87 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.02 111.121 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -27.67 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.874 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -52.1 -31.26 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 61.21 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -113.79 23.64 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 74.31 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.79 67.32 2.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 63.25 112.5 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.96 HD13 HD12 ' A' ' 14' ' ' ILE . 1.3 tt -114.0 -17.26 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 74.24 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -113.0 116.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 74.54 111.122 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.1 t-80 -84.56 3.23 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.23 110.844 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.01 110.87 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.71 HD22 HG21 ' A' ' 79' ' ' VAL . 24.2 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.796 0.331 . . . . 75.43 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -92.81 129.7 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.903 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -60.32 119.23 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.69 -13.54 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 45.31 112.467 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -122.11 -43.93 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 74.11 110.904 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.82 14.33 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.84 -26.37 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.848 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -73.66 -18.79 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.851 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.71 HG21 HD22 ' A' ' 71' ' ' LEU . 93.7 t -55.7 114.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.53 111.138 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 36' ' ' THR . 79.9 t -91.65 113.22 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 65.24 111.089 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.61 109.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.098 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.93 112.15 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 53.33 111.152 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.76 105.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.903 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.2 mt -93.71 87.47 5.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.914 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.894 0.378 . . . . 71.31 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.2 79.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.28 -40.52 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.904 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.842 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.5 mm -57.72 -20.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.128 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttt -52.37 -25.4 9.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.02 110.849 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.85 -54.19 45.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.03 110.916 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -46.1 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 54.12 110.887 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -47.9 -38.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 43.52 110.847 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' THR . 18.7 t80 -53.98 -42.0 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.5 t -75.88 -37.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 72.02 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.3 mm -65.49 -34.23 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.165 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -27.49 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.869 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.4 p -72.32 -25.84 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.4 111.142 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.66 ' HE3' HG11 ' A' ' 35' ' ' VAL . 34.5 mtm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 71.45 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -149.29 140.25 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 60.32 110.864 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.2 m -153.88 150.76 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 HG22 ' A' ' 80' ' ' VAL . 24.2 p -83.47 156.35 22.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.164 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.34 -46.13 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.06 50.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 41.44 112.463 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.57 -50.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 72.31 110.894 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.7 mt -54.0 -45.81 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.929 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.777 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.6 t80 -65.12 -53.07 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -58.96 -17.95 29.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 61.12 110.88 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -93.49 -34.75 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.44 110.824 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.82 -27.22 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.914 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.22 -27.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.55 111.176 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -89.96 10.69 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.905 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.79 -71.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.32 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.47 -34.0 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 55.22 110.866 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t0 69.25 66.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 73.34 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.77 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 62.13 110.92 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -54.02 -45.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.5 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.3 t -53.99 -34.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.02 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.09 -33.21 65.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 63.11 112.496 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.0 mt -76.82 -32.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 64.52 111.14 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HG11 ' A' ' 64' ' ' VAL . 45.9 mt -51.77 -31.16 25.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.903 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.4 mtt -60.38 -34.42 73.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 61.44 110.884 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -71.79 -55.02 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.875 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.65 -31.09 67.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -65.24 -27.89 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.843 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -51.89 -33.38 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 61.11 110.877 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -114.01 32.26 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 51.5 110.856 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.61 1.94 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 53.24 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.842 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -113.99 -24.56 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 72.23 110.932 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.888 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -120.14 118.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.122 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.611 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -88.21 8.24 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 61.12 110.836 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.05 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.824 HD22 HG21 ' A' ' 79' ' ' VAL . 32.3 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.808 0.337 . . . . 55.13 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -92.22 121.33 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.938 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 127.93 22.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.23 -7.68 80.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 51.45 112.496 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -122.26 -39.39 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 74.43 110.898 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -113.39 14.15 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 63.2 110.864 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -56.4 -26.18 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -69.22 -20.66 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.824 HG21 HD22 ' A' ' 71' ' ' LEU . 81.4 t -55.46 114.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 36' ' ' THR . 71.2 t -91.96 116.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.12 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.84 109.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -102.15 111.6 23.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 62.52 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.68 105.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.611 HD11 ' CG ' ' A' ' 65' ' ' HIS . 43.0 mt -94.73 85.24 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.899 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 54.02 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.934 0.397 . . . . 73.15 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -68.69 -42.32 77.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.21 -41.18 83.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 61.33 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 45.3 mm -57.44 -21.62 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 51.15 111.153 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.67 -25.87 8.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.14 110.873 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.06 -53.64 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 72.44 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.4 -45.7 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.895 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.72 -38.7 15.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 71.01 110.896 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' THR . 51.8 t80 -53.75 -42.15 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -75.97 -39.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.7 mm -62.59 -34.49 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -29.09 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -70.62 -29.64 66.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.18 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.874 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.718 0.294 . . . . 71.22 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -147.42 139.78 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.954 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -154.5 151.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 53.05 111.121 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 40.5 p -84.19 156.28 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.05 111.119 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.38 -47.99 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.52 -47.44 51.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 70.14 112.48 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -65.87 -50.86 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 71.21 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 51' ' ' VAL . 1.1 mt -53.83 -51.58 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 70.43 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.768 ' O ' HG13 ' A' ' 45' ' ' VAL . 29.3 t80 -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 64.04 110.86 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.91 -18.55 23.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 61.42 110.91 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -94.47 -34.47 12.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.675 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.76 -26.03 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.907 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 41' ' ' PHE . 26.4 m -56.29 -27.91 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 34.31 111.131 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -90.19 10.93 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 62.22 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.85 -71.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.31 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 -33.41 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.844 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.1 t0 68.78 64.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 63.15 110.878 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 60.11 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.72 -45.69 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.096 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' N ' HG13 ' A' ' 51' ' ' VAL . 52.9 t -54.07 -36.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 72.02 111.107 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.43 66.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 74.52 112.446 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.6 mt -76.72 -36.65 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 72.24 111.109 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 64' ' ' VAL . 46.1 mt -51.79 -30.99 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.872 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.4 mmm -56.77 -32.25 65.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.12 110.933 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -77.49 -41.09 40.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.896 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -69.19 -32.28 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.4 111.072 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.08 -27.84 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.843 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -51.69 -33.47 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.944 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -114.1 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.826 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.28 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 75.12 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.94 -26.31 8.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 54.43 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.669 HG11 HD22 ' A' ' 55' ' ' LEU . 5.4 m -114.26 117.4 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 60.41 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.627 ' CG ' HD11 ' A' ' 84' ' ' LEU . 2.1 t-160 -84.51 3.23 37.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.916 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.856 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 79' ' ' VAL . 15.6 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.802 0.334 . . . . 55.44 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -100.47 128.14 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.904 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 122.93 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.09 58.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 60.12 112.457 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -122.0 -55.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 61.42 110.925 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' HD22 ' A' ' 71' ' ' LEU . 10.4 m-20 -92.43 14.31 16.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.866 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.22 -26.46 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 60.4 110.839 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.22 -17.69 59.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 63.2 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.724 HG21 HD22 ' A' ' 71' ' ' LEU . 84.9 t -55.68 112.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.44 111.145 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.4 t -87.52 113.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 62.52 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.1 108.91 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 63.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -101.28 112.44 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 70.31 111.087 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 7.0 tp -48.55 105.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 54.03 110.945 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.627 HD11 ' CG ' ' A' ' 65' ' ' HIS . 51.9 mt -93.2 85.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 65.51 110.91 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 65.24 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -44.13 72.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.97 -38.82 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.857 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.0 mm -58.69 -22.55 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 70.33 111.104 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.7 mtp -52.6 -25.3 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -54.84 -54.23 45.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 61.05 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -47.84 10.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 73.42 110.892 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.28 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 61.53 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 16.1 t80 -53.98 -42.3 68.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.22 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.2 t -75.94 -39.96 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.1 111.11 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 22.4 mm -62.84 -36.67 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.51 111.134 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.51 -27.65 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.3 p -74.59 -32.32 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 61.23 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.01 110.915 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.9 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.847 0.356 . . . . 61.15 111.11 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -147.72 140.06 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD12 ' A' ' 21' ' ' ILE . 5.5 m -153.89 151.63 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.21 111.167 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 80' ' ' VAL . 11.3 p -85.72 154.83 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.12 111.13 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.09 -48.57 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.95 -47.21 54.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 74.12 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.2 -51.26 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 73.01 110.875 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.905 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.794 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.8 t80 -58.93 -52.39 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.879 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG22 ' A' ' 45' ' ' VAL . 17.2 t70 -57.07 -19.4 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.95 -33.94 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.23 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.697 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -79.03 -26.17 43.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.9 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.794 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.0 m -56.16 -28.19 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.43 111.167 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -90.18 11.08 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.851 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -131.91 -71.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.138 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -126.82 -33.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.854 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.559 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.5 t0 68.91 64.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.86 36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.03 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.2 p -53.9 -45.55 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 44.22 111.111 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.0 t -53.69 -39.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 54.22 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.38 -33.21 84.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 52.04 112.491 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.6 mt -76.94 -33.96 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 71.31 111.161 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 HG11 ' A' ' 64' ' ' VAL . 44.8 mt -51.89 -30.98 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.914 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.0 mtm -59.5 -34.02 72.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.54 -55.09 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.33 111.112 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -64.48 -27.69 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -51.73 -33.46 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -114.09 33.24 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.825 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.83 67.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 60.42 112.467 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.857 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.02 -26.98 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 71.35 110.951 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 55' ' ' LEU . 16.3 m -117.71 119.16 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 74.05 111.121 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -87.19 7.28 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.852 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 79' ' ' VAL . 38.0 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.34 . . . . 74.54 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -91.32 125.1 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 120.95 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.05 110.915 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.98 -15.75 47.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 73.44 112.462 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -122.13 -49.77 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 72.11 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.43 14.25 21.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 72.31 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.56 -26.35 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -71.9 -18.66 62.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.857 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.758 HG21 HD22 ' A' ' 71' ' ' LEU . 96.1 t -55.71 114.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 36' ' ' THR . 74.5 t -90.86 117.43 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 55.34 111.176 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.05 109.37 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.168 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.71 112.49 25.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.33 111.13 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.39 105.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.9 mt -93.32 85.63 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HG2' HD23 ' A' ' 63' ' ' LEU . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.932 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.835 0.35 . . . . 75.14 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -69.19 -43.47 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.14 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.54 -39.0 78.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.972 HD12 HD13 ' A' ' 63' ' ' LEU . 27.8 mm -56.0 -21.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 64.24 111.138 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptm -47.8 -30.07 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.876 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.16 -50.84 70.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.43 -50.39 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 65.43 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.2 t -47.61 -37.04 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.912 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 16.7 t80 -55.42 -42.57 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 70.41 110.862 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 44' ' ' TYR . 82.9 t -75.87 -36.77 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 55.34 111.153 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 33.9 mm -66.47 -34.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.32 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -65.97 -29.12 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.2 p -69.49 -34.15 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.173 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.652 ' HE3' HG11 ' A' ' 35' ' ' VAL . 31.7 mtm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 71.23 111.166 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -145.84 140.4 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 71.22 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.3 m -154.66 151.06 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 HG22 ' A' ' 80' ' ' VAL . 11.7 p -82.92 159.08 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 44.44 111.116 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.23 -45.71 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.4 110.88 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.96 -45.98 50.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 75.4 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.47 -49.13 57.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 63.2 110.861 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -54.87 -43.72 73.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.901 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.782 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.7 t80 -66.99 -53.06 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -59.2 -17.05 24.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.892 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -94.25 -35.62 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.859 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.95 -26.08 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.89 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.25 -27.89 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 71.2 111.146 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -89.67 10.69 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.76 -71.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.2 111.096 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.36 -32.54 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.33 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t0 68.54 62.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.14 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.34 110.881 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.43 -45.49 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.24 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' VAL . 54.7 t -55.47 -35.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.23 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -31.82 66.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 50.14 112.493 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.93 -34.07 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 70.3 111.141 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 HG11 ' A' ' 64' ' ' VAL . 45.4 mt -51.74 -32.55 31.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.872 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.2 mtt -55.63 -31.21 62.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -73.49 -48.22 35.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 61.32 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.981 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.75 -29.73 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.5 111.135 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -64.72 -27.84 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 61.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -52.01 -35.5 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -108.06 23.47 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.95 66.96 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 45.41 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.981 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.5 tt -114.02 -17.03 12.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 63.22 110.865 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 55' ' ' LEU . 3.7 m -112.84 116.79 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.43 111.099 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.6 t-160 -83.69 2.08 39.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.852 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.883 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 79' ' ' VAL . 15.7 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 75.13 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -96.15 130.47 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.15 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.9 123.58 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.25 110.893 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.78 -3.14 87.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 62.24 112.535 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -122.22 -37.07 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 74.43 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m-20 -117.44 14.49 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.68 -26.24 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.32 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -72.17 -20.89 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.861 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 71' ' ' LEU . 94.0 t -55.6 112.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.096 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 36' ' ' THR . 77.2 t -90.1 111.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.4 109.17 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 72.34 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.96 111.71 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.31 111.096 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.58 105.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.02 110.953 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.2 88.69 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 65.13 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 62.15 110.88 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.88 0.372 . . . . 72.41 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -68.5 -43.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.05 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -57.15 -39.67 75.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 54.42 110.911 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.1 mm -58.49 -25.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.2 111.171 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.9 mtp -53.13 -25.09 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 60.14 110.873 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -54.74 -53.36 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.876 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.23 -45.3 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.93 -38.61 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 62.01 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 23' ' ' THR . 49.7 t80 -54.15 -42.08 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.8 t -75.85 -36.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.634 ' CD1' HD21 ' A' ' 40' ' ' LEU . 25.4 mm -66.27 -35.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.096 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -27.13 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 63.03 110.871 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.9 p -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 75.21 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.657 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.9 mtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.855 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 72.41 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.68 140.2 24.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 70.03 110.915 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.0 m -153.93 151.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 50.03 111.084 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 80' ' ' VAL . 22.7 p -82.98 156.52 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 70.34 111.127 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.48 -46.18 80.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.87 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.99 -46.45 50.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 60.3 112.483 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.4 -49.19 61.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.29 -46.86 72.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.848 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.0 t80 -64.32 -53.29 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 70.11 110.917 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.53 -17.96 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 73.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -94.13 -35.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.844 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.669 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.81 -26.27 44.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.928 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.7 m -56.28 -27.81 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 71.33 111.124 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -89.7 10.66 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.24 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mt -131.76 -71.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.52 110.866 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.9 t0 68.52 62.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.15 110.861 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.3 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.57 -45.49 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 72.5 111.137 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.3 t -55.63 -35.44 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 55.03 111.158 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.99 -31.34 66.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.735 -0.745 . . . . 51.31 112.514 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.78 -36.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 74.25 111.117 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.883 HD22 HG11 ' A' ' 64' ' ' VAL . 44.3 mt -51.77 -31.01 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 61.12 110.889 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.64 -30.43 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -79.04 -54.13 6.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 63.24 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -57.78 -32.92 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 55.14 111.094 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -64.56 -27.88 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -51.9 -33.45 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 54.13 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -114.0 32.75 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.876 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.97 67.74 1.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 65.52 112.497 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.06 -25.33 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 63.32 110.891 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.883 HG11 HD22 ' A' ' 55' ' ' LEU . 13.4 m -117.34 116.94 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.646 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -84.85 3.7 36.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.878 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.03 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.731 HD22 HG21 ' A' ' 79' ' ' VAL . 25.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.775 0.321 . . . . 73.01 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.23 131.36 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.01 117.69 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.43 110.947 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.26 -13.99 47.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 43.1 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -122.03 -40.84 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 61.24 110.924 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.1 14.36 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.849 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.32 -26.41 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 54.55 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -75.73 -17.55 59.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 61.14 110.88 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.731 HG21 HD22 ' A' ' 71' ' ' LEU . 89.4 t -55.77 114.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.42 111.11 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 36' ' ' THR . 73.5 t -89.29 115.37 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 75.44 111.106 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.66 109.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.3 111.1 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 43.14 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -48.16 105.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.94 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 65' ' ' HIS . 30.8 mt -94.17 85.43 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.936 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.626 ' HG2' HD23 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.891 0.377 . . . . 73.12 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -44.02 75.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 52.12 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -41.21 84.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.889 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.81 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.3 mm -57.87 -21.44 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.146 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttt -52.35 -25.52 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 62.25 110.874 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.89 -54.06 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 72.52 110.869 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -48.32 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 60.52 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.3 t -48.09 -34.81 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' THR . 16.6 t80 -58.07 -41.86 84.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.854 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.694 HG11 ' CE1' ' A' ' 44' ' ' TYR . 78.5 t -76.73 -33.58 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.093 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.659 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.0 mm -70.31 -35.83 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 53.4 111.14 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -20.28 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 72.15 110.899 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -79.26 -23.24 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.24 111.178 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 65.4 110.937 179.85 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.659 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 55.11 111.142 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -146.87 139.44 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.921 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -154.35 151.57 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 71.43 111.143 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -84.54 154.94 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.04 111.166 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.5 -49.42 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.849 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.9 -47.53 53.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 41.44 112.462 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.35 -51.12 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 72.44 110.89 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.79 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 65.41 110.881 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 35.7 t80 -58.8 -51.19 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.874 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.03 -18.83 26.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.55 110.845 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -93.77 -34.51 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.75 -26.75 44.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 64.03 110.936 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.33 -27.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.52 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.48 10.95 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.12 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.9 mt -132.14 -71.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 -34.08 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 69.13 64.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.33 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.5 35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.876 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.3 p -53.99 -45.73 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 64.3 111.148 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t -53.87 -35.07 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.32 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.66 65.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 63.21 112.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -77.01 -32.77 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 73.21 111.134 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.0 mt -51.56 -33.35 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.15 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.46 -36.3 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.882 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -67.31 -49.56 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 62.31 110.846 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -64.88 -30.03 71.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.01 111.144 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -64.96 -27.75 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.824 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -51.74 -33.34 34.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -114.14 33.12 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.15 110.848 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.32 67.44 1.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 70.34 112.516 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.0 -25.4 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 61.34 110.906 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG11 HD22 ' A' ' 55' ' ' LEU . 22.8 m -114.52 123.14 69.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.14 111.138 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.656 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.06 13.2 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.23 110.846 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.89 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HG11 ' A' ' 79' ' ' VAL . 1.2 mp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 73.35 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -114.78 127.02 55.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.963 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 124.02 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 61.23 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.99 -5.69 78.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 75.11 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -122.13 -55.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 75.12 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 71' ' ' LEU . 5.0 m-20 -95.54 14.27 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.19 -26.44 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -72.51 -19.08 61.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 71' ' ' LEU . 68.8 t -55.61 115.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.32 111.105 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -92.31 111.0 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.04 109.6 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.94 112.27 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 33' ' ' ILE . 6.6 tp -48.25 105.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.929 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -93.31 85.32 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 63' ' ' LEU . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.882 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.892 0.377 . . . . 71.52 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -43.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.13 110.868 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.76 -41.88 82.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.981 HD12 HD13 ' A' ' 63' ' ' LEU . 32.3 mm -55.54 -22.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 52.11 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpp -47.84 -30.42 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.848 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -55.91 -51.38 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 61.42 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.26 -50.56 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 72.55 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.77 -34.41 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 45.54 110.883 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 23' ' ' THR . 14.4 t80 -56.96 -43.79 81.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.686 HG11 ' CE1' ' A' ' 44' ' ' TYR . 64.2 t -76.0 -40.85 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 61.44 111.078 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.687 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.4 mm -63.54 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.093 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -67.01 -23.4 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.9 p -79.17 -27.68 42.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 61.34 111.146 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.904 179.86 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 74.24 111.153 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.7 mp0 -146.07 139.71 26.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.937 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.9 m -155.77 146.57 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 54.22 111.151 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 80' ' ' VAL . 3.7 p -80.76 155.01 26.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.173 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.65 -49.4 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.904 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.61 -47.45 52.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.525 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -65.79 -51.04 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 73.11 110.903 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.91 -51.45 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.66 -51.26 70.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.936 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -58.56 -18.33 28.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.906 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 47' ' ' ILE . 2.3 tpt180 -94.25 -34.12 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.864 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.686 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.79 -26.32 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.878 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.5 m -56.37 -27.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.2 111.161 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -90.7 10.7 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 70.03 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.417 HD11 HH21 ' A' ' 43' ' ' ARG . 64.0 mt -131.75 -71.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.191 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -33.61 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 65.11 110.861 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.678 ' OD1' HG12 ' A' ' 45' ' ' VAL . 23.3 t0 69.04 63.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.21 110.913 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.83 36.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 40' ' ' LEU . 4.5 p -54.25 -45.5 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.144 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.452 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.6 t -53.87 -36.05 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.24 111.174 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.35 69.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 63.3 112.505 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 51' ' ' VAL . 11.7 mt -77.06 -32.3 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 74.11 111.124 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -51.81 -31.5 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 44.21 110.874 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.8 mtp -58.72 -33.77 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.91 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -68.33 -51.53 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 54.21 110.883 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -63.45 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.24 111.11 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.19 -27.6 69.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -30.81 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.33 23.69 13.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.839 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 65.75 3.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 72.51 112.503 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.06 -18.23 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 70.53 110.894 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 63' ' ' LEU . 3.8 m -112.97 116.74 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.2 111.121 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.569 ' HB2' HD11 ' A' ' 84' ' ' LEU . 5.1 t-160 -82.12 0.29 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.04 110.89 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 79' ' ' VAL . 8.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 72.41 110.918 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -93.07 121.51 34.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.865 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.95 125.16 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.957 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.52 -9.98 74.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 41.34 112.505 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -122.18 -55.06 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.323 . . . . 74.15 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.4 m-20 -92.19 14.24 16.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.893 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.58 -26.23 61.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -67.46 -21.57 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.865 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.79 HG21 HD22 ' A' ' 71' ' ' LEU . 90.9 t -55.57 114.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 61.03 111.113 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 36' ' ' THR . 88.8 t -93.31 120.13 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.24 111.127 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.84 109.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.135 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.69 111.86 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.2 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 33' ' ' ILE . 5.7 tp -49.1 105.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.916 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.59 85.62 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 64.4 110.897 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.939 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 55.14 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -45.25 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.71 -39.11 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 62.23 110.866 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.798 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.4 mm -57.25 -22.58 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 70.43 111.14 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -50.99 -26.09 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.11 110.909 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.83 -54.6 40.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 73.55 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -47.37 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.926 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -47.57 -38.07 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.844 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 23' ' ' THR . 44.0 t80 -53.9 -42.89 69.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.8 t -75.99 -41.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 55.02 111.088 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.664 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.6 mm -62.82 -29.94 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.171 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -76.35 -22.83 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.13 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.896 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.664 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.829 0.347 . . . . 74.2 111.132 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.2 mp0 -146.79 139.45 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.884 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.8 m -156.07 151.08 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.01 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 80' ' ' VAL . 18.7 p -85.27 155.55 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 60.44 111.143 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -49.26 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.912 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.85 -47.25 53.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 62.04 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.93 -51.34 59.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 73.5 110.817 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.93 -50.31 66.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 52.24 110.929 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.8 t80 -59.44 -51.43 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.13 -18.61 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.25 110.851 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -93.96 -34.69 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.889 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.68 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.75 -26.59 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 65.22 110.906 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.3 m -56.2 -27.9 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.118 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -90.39 10.93 23.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.879 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.87 -71.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.146 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -126.22 -33.5 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.817 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.9 t0 68.89 65.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.862 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.98 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 63.22 110.897 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.626 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.88 -45.79 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.1 t -54.69 -35.31 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 33.02 111.13 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -32.39 65.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 63.11 112.521 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -76.92 -34.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 73.12 111.111 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 HG11 ' A' ' 64' ' ' VAL . 42.8 mt -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.28 -32.49 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 51.42 110.923 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -74.33 -50.76 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.14 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.57 -31.99 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 52.41 111.068 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.02 -27.84 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.5 110.896 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.9 -33.5 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -114.06 32.67 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 62.2 110.854 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 68.13 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.463 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.04 -26.87 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.34 110.934 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.753 HG11 HD22 ' A' ' 55' ' ' LEU . 7.9 m -114.19 119.93 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 52.22 111.139 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.673 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -85.38 -0.1 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 52.4 110.862 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.924 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 79' ' ' VAL . 18.6 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.787 0.327 . . . . 72.22 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.83 126.31 37.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.26 130.49 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.903 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.32 -1.99 83.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 63.33 112.513 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -122.15 -54.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 72.01 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -98.63 14.44 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.32 110.837 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.6 -26.4 55.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 44.52 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -70.63 -21.08 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.751 HG21 HD22 ' A' ' 71' ' ' LEU . 97.6 t -55.64 114.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.128 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 36' ' ' THR . 77.6 t -90.24 122.75 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.22 111.12 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.14 109.55 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.125 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.566 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -104.02 111.69 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 65.51 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.615 HD22 HD12 ' A' ' 33' ' ' ILE . 6.1 tp -49.18 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.8 mt -95.31 85.2 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 61.12 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.03 110.877 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 71.44 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -44.85 71.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 75.54 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.93 -39.46 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 61.45 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.987 HD12 HD13 ' A' ' 63' ' ' LEU . 27.3 mm -56.36 -22.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 53.25 111.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.6 mtp -48.0 -30.25 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.845 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.69 -51.17 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.87 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -50.24 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.897 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -48.14 -33.33 8.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.864 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 23' ' ' THR . 14.3 t80 -59.03 -42.39 90.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.899 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.7 t -77.32 -34.05 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 65.25 111.147 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.673 ' CD1' HD21 ' A' ' 40' ' ' LEU . 31.7 mm -69.94 -36.55 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 35.45 111.142 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -20.34 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.45 110.865 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.2 p -79.52 -30.26 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.51 111.162 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 65.05 110.873 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.673 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.763 0.316 . . . . 74.02 111.119 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.2 mp0 -146.64 139.66 25.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 75.31 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.6 m -156.45 148.5 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 52.01 111.138 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 80' ' ' VAL . 15.8 p -82.25 156.57 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -53.32 -48.73 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 74.23 110.844 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.4 -47.72 50.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 62.14 112.459 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.61 -51.11 62.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 75.31 110.867 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.3 mt -53.79 -52.23 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 72.33 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.774 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.1 -51.32 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.875 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.9 -18.83 25.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.871 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -94.2 -34.38 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.883 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.76 -26.3 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.908 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.774 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.1 m -56.28 -27.71 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.55 111.076 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -90.65 11.0 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.896 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.1 mt -132.0 -71.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 53.12 111.13 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.59 -33.62 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.03 110.887 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 68.79 64.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 62.13 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 65.43 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.95 -45.64 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.44 111.096 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.8 t -53.92 -36.04 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.093 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.16 -32.21 65.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 52.25 112.478 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -33.6 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 72.35 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG11 ' A' ' 64' ' ' VAL . 54.1 mt -51.72 -32.67 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.95 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 mtp -56.71 -33.05 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.41 110.928 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -70.17 -46.86 63.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.845 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.84 -30.51 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.098 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.13 -27.59 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -52.58 -29.81 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 71.33 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -113.99 23.75 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.01 110.851 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.92 66.35 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 71.41 112.484 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 14' ' ' ILE . 1.5 tt -114.01 -17.59 11.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 72.21 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 63' ' ' LEU . 3.4 m -112.61 116.7 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.33 111.076 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -83.25 1.62 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 79' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 61.22 110.947 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -93.9 127.21 39.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 70.3 110.952 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -52.73 130.11 31.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 53.35 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.61 -2.12 83.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 74.13 112.483 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -122.12 -55.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 70.1 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -97.79 14.44 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.865 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -26.35 53.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 70.01 110.835 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.03 110.817 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 71' ' ' LEU . 98.6 t -55.59 114.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.125 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 36' ' ' THR . 90.0 t -92.16 115.66 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 62.51 111.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.13 109.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.53 111.152 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.98 111.69 24.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.55 111.097 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 6.0 tp -48.59 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 61.34 110.897 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 57.7 mt -92.83 85.87 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 63.4 110.908 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.875 0.369 . . . . 73.31 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -68.94 -43.85 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.67 -35.7 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 64.53 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.829 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.1 mm -57.05 -19.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.21 111.136 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -25.31 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.913 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -55.07 -57.62 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.905 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -46.06 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.951 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.0 t -47.96 -39.03 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' THR . 18.3 t80 -53.9 -41.86 68.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 64.4 110.83 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.664 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 94.3 t -76.09 -37.48 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.181 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.611 ' CD1' HD21 ' A' ' 40' ' ' LEU . 24.9 mm -65.42 -35.37 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.42 111.155 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -64.93 -28.51 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.878 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.7 p -70.83 -37.84 73.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.111 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.8 mmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 74.11 110.85 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.611 HG21 HG22 ' A' ' 21' ' ' ILE . 2.5 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.742 0.306 . . . . 63.04 111.146 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.97 140.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.01 110.86 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 21' ' ' ILE . 4.9 m -153.48 150.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 41.1 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 80' ' ' VAL . 15.0 p -82.56 158.07 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 71.34 111.132 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -55.97 -50.33 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.864 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.91 -48.1 46.12 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 74.23 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.92 -51.04 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 75.21 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.93 -53.71 48.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.917 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.769 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.0 t80 -57.05 -50.17 73.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.886 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -57.91 -18.32 22.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.894 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -95.34 -34.27 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.87 -24.97 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.871 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.22 -27.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.24 111.115 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -89.75 10.75 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 62.42 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.8 mt -131.83 -71.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -32.33 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 61.23 110.876 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.6 t0 68.42 60.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 63.22 110.85 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 40.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.51 -45.11 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.173 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' N ' HG13 ' A' ' 51' ' ' VAL . 74.5 t -53.58 -42.23 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.15 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 -31.09 78.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 63.44 112.451 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 51' ' ' VAL . 6.5 mt -76.59 -34.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 73.25 111.16 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.932 HD22 HG11 ' A' ' 64' ' ' VAL . 49.6 mt -52.0 -30.97 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.891 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.01 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -76.98 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 70.12 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.97 -30.34 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.105 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 64' ' ' VAL . 33.3 ttp85 -65.73 -27.78 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.851 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.87 -32.26 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -114.1 32.17 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.15 110.858 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 66.79 2.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 53.11 112.461 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.829 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.03 -25.35 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 65.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 55' ' ' LEU . 15.6 m -118.03 117.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.3 111.134 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.648 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -83.95 2.57 38.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.897 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 79' ' ' VAL . 11.6 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.835 0.35 . . . . 64.31 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -91.28 121.13 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.913 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 127.69 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 62.04 110.908 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -7.74 81.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.477 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -122.28 -54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 71.23 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 79' ' ' VAL . 4.2 m-20 -93.23 14.39 18.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.867 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.12 -26.12 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.5 -20.77 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.866 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 HD22 ' A' ' 71' ' ' LEU . 78.6 t -55.48 114.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.35 111.125 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.503 HG22 HG22 ' A' ' 36' ' ' THR . 70.5 t -93.55 114.87 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 62.22 111.091 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.66 109.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -102.8 111.51 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.02 111.142 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 63' ' ' LEU . 7.5 tp -49.39 105.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.866 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 65' ' ' HIS . 26.9 mt -95.36 85.58 4.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.934 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.925 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.852 0.358 . . . . 71.33 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -40.85 78.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 72.54 110.898 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.13 -38.89 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 54.05 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.1 mm -58.89 -22.13 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.132 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.4 mtt -52.97 -25.19 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 54.22 110.843 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.39 -53.42 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 72.33 110.925 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -46.84 12.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.925 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.22 -36.0 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.881 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 38.4 t80 -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.33 110.944 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' CE1' ' A' ' 44' ' ' TYR . 86.3 t -76.8 -32.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 73.22 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.614 HD12 HG21 ' A' ' 35' ' ' VAL . 25.9 mm -71.48 -35.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 70.12 111.139 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -65.61 -19.61 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.892 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.3 p -79.06 -24.78 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.22 111.141 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.806 0.336 . . . . 72.02 111.131 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.51 139.86 24.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.86 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 21' ' ' ILE . 15.4 m -152.87 151.22 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.32 111.097 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.585 HG22 HG22 ' A' ' 80' ' ' VAL . 32.1 p -84.95 154.53 22.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 63.43 111.123 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -53.3 -47.47 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.89 -47.01 54.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 54.25 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -67.01 -51.16 58.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 72.5 110.864 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.74 -50.02 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.947 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.7 t80 -60.51 -51.53 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.902 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.34 -18.34 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.876 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -93.3 -34.99 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.833 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.704 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.69 -27.4 45.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.945 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.2 m -56.23 -28.0 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 64.12 111.109 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -90.28 10.88 23.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.05 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mt -131.97 -71.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.05 111.128 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -126.92 -33.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 34.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 9.5 t0 69.11 67.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 41.43 110.857 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.72 34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 61.24 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.588 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.0 p -53.87 -46.09 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 73.04 111.106 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.7 t -54.34 -34.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.23 111.147 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -33.4 65.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 14.44 112.505 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -77.0 -33.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.42 111.123 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -51.6 -31.79 26.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 64.25 110.885 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtt -60.59 -38.03 83.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.8 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.892 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -63.73 -29.2 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.21 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -27.8 69.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.859 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -51.83 -32.81 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -114.11 32.7 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.21 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.71 66.55 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 41.14 112.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.0 -23.75 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 71.23 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 55' ' ' LEU . 19.7 m -115.28 118.66 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.105 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.681 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -90.66 9.73 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.856 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.709 HD22 HG21 ' A' ' 79' ' ' VAL . 27.7 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 73.13 110.906 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -94.23 134.32 36.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 60.4 110.905 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.77 124.86 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.4 85.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 51.54 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -122.04 -36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 64.41 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.2 m-20 -119.24 14.34 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 65.31 110.843 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.38 -26.27 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 63.13 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -74.33 -19.14 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.709 HG21 HD22 ' A' ' 71' ' ' LEU . 97.7 t -55.57 114.6 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 72.1 111.117 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 36' ' ' THR . 76.2 t -89.72 113.28 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 62.12 111.123 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.07 108.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.081 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -100.29 112.16 24.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 63.22 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.07 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -89.85 85.56 6.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.958 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.87 0.367 . . . . 71.1 110.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.72 -40.56 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.823 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.85 -42.45 84.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 64.23 110.858 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.959 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -56.22 -22.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.22 111.109 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ttm -48.52 -29.1 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.895 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.7 -51.3 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 55.24 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -50.77 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 44.43 110.931 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.12 -37.89 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.909 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' THR . 19.2 t80 -54.16 -43.33 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.854 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 71.7 t -76.04 -40.08 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.113 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.1 mm -63.65 -29.89 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.33 111.097 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -25.05 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 70.42 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -73.61 -44.65 56.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 65.22 111.161 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.859 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.669 ' CG2' HG22 ' A' ' 21' ' ' ILE . 8.3 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.78 0.324 . . . . 74.23 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . 29.3 mp0 -150.25 139.86 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 61.53 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' CG2' HG23 ' A' ' 21' ' ' ILE . 3.4 m -155.22 152.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 65.31 111.153 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 80' ' ' VAL . 19.2 p -85.18 153.85 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 63.54 111.201 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.77 -49.37 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 64.33 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.67 -47.22 52.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 70.22 112.47 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.43 -51.03 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.14 110.934 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -53.89 -50.34 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.933 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.807 ' O ' HG13 ' A' ' 45' ' ' VAL . 33.1 t80 -59.89 -52.11 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.9 t70 -58.09 -17.54 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 51.32 110.881 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -93.07 -35.49 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.893 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -79.12 -25.56 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.914 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 41' ' ' PHE . 27.8 m -56.14 -28.24 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 64.04 111.13 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.57 10.17 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mt -131.66 -71.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -30.37 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.853 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' HG12 ' A' ' 45' ' ' VAL . 13.6 t0 68.22 60.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 65.41 110.911 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.881 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.1 p -52.94 -45.99 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.23 111.149 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 55' ' ' LEU . 55.2 t -54.88 -43.52 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 51.31 111.108 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.49 82.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 63.34 112.454 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 4.9 mt -77.0 -35.47 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.22 111.146 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.1 mt -51.66 -30.94 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.878 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -39.56 72.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -63.49 -49.02 75.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.971 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.96 -30.48 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.22 111.122 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -27.31 68.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -52.47 -29.69 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 62.34 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -114.03 24.4 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.854 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.63 65.79 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 73.13 112.474 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.971 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.03 -18.19 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 72.32 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 55' ' ' LEU . 4.7 m -109.21 119.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.43 111.12 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.667 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -87.86 7.81 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.893 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 64.44 110.906 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.771 HD22 HG21 ' A' ' 79' ' ' VAL . 16.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 52.23 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -91.69 123.75 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.948 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 124.0 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 62.1 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.51 -17.36 53.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 53.31 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -122.17 -49.25 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 74.55 110.878 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.49 14.28 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 64.33 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.45 -26.38 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -71.62 -18.61 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.771 HG21 HD22 ' A' ' 71' ' ' LEU . 96.0 t -55.65 114.82 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.23 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 36' ' ' THR . 80.4 t -91.25 112.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 50.54 111.171 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.21 109.33 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.4 111.115 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -103.85 113.09 26.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.42 111.158 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 tp -47.35 105.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD11 ' CG ' ' A' ' 65' ' ' HIS . 25.1 mt -96.48 95.0 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.866 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.875 0.369 . . . . 73.33 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.18 75.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.56 -42.46 87.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.877 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.804 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.6 mm -57.43 -20.55 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.23 111.127 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -25.95 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 65.23 110.86 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.01 -54.77 38.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.9 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -46.43 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -47.8 -38.45 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 15.9 t80 -53.77 -42.2 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 74.2 t -75.87 -40.68 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.24 111.108 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.64 HG22 ' CG2' ' A' ' 33' ' ' ILE . 26.6 mm -62.7 -31.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -68.74 -24.28 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.905 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.2 p -74.06 -24.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 65.21 111.16 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.43 ' HB2' HG11 ' A' ' 35' ' ' VAL . 89.6 mmm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 70.2 110.904 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.64 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.338 . . . . 70.34 111.1 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -147.57 139.35 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 24' ' ' MET . 5.8 m -154.72 151.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 64.43 111.12 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 p -84.04 154.35 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.5 111.107 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.78 -48.96 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.11 110.911 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.14 -46.66 56.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 54.54 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.44 -51.4 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 62.51 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.0 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.927 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.8 t80 -60.03 -51.54 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.897 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.34 -18.35 26.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.01 110.863 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.26 -34.63 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.79 -26.13 44.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.942 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.9 m -56.26 -27.78 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 72.44 111.136 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -90.3 10.78 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mt -131.86 -71.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 65.12 111.159 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.27 -33.53 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.861 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.693 ' OD1' HG12 ' A' ' 45' ' ' VAL . 30.3 t0 68.99 63.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.12 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.23 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.5 -45.82 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.151 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 77.5 t -55.3 -35.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 53.02 111.165 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.89 66.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 72.35 112.481 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.74 -35.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 75.04 111.132 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD22 HG11 ' A' ' 64' ' ' VAL . 46.8 mt -51.7 -30.95 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.924 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.27 -33.84 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.883 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -74.61 -44.39 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.838 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -66.14 -32.58 74.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.069 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -64.88 -27.81 69.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 64.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -51.82 -33.54 36.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 62.14 110.907 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -114.06 32.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.3 110.858 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.21 2.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.735 . . . . 73.13 112.485 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -114.03 -23.92 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.13 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 55' ' ' LEU . 12.4 m -114.67 121.02 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.144 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -88.95 -4.6 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.03 110.866 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.806 HD22 HG21 ' A' ' 79' ' ' VAL . 4.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.772 0.32 . . . . 72.32 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -91.5 121.4 33.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 74.03 110.906 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 125.34 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.938 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.96 -9.26 77.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -122.27 -55.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 71.53 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 79' ' ' VAL . 21.9 m-20 -93.03 14.42 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -56.26 -26.24 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -68.08 -19.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.2 110.85 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.806 HG21 HD22 ' A' ' 71' ' ' LEU . 74.0 t -55.58 115.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.123 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -92.67 116.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 72.02 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.43 109.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.52 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CD1' ' A' ' 84' ' ' LEU . 2.5 t -105.43 113.4 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 64.41 111.129 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 33' ' ' ILE . 5.2 tp -51.91 104.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 41.45 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HG23 ' A' ' 82' ' ' THR . 4.9 mp -93.95 84.76 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 63.11 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.4 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 75.52 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -68.71 -42.97 76.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.927 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.78 -41.85 87.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.5 mm -57.83 -20.59 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 34.32 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.3 ttp -52.01 -25.26 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.911 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.99 -53.76 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.874 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -47.08 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.919 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.12 15.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' THR . 44.5 t80 -54.7 -41.93 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.683 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.2 t -75.73 -36.78 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.1 111.157 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.648 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.6 mm -66.53 -35.81 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.24 111.153 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -64.91 -27.49 68.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.8 p -72.95 -24.8 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 55.13 111.196 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.664 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.0 mtm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.33 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.0 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.793 0.33 . . . . 54.35 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -148.05 139.97 24.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 63.23 110.905 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.8 m -154.26 150.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 63.33 111.134 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 p -82.46 158.45 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.3 111.114 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.35 -46.77 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.56 49.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 75.5 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.93 -48.45 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 62.2 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -55.06 -48.09 73.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.934 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.779 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.1 t80 -63.07 -52.95 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.849 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -58.33 -18.12 25.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 63.35 110.881 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -94.4 -34.77 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.862 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.683 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.83 -25.98 44.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.43 110.932 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.8 m -56.28 -27.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 62.33 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -89.97 10.75 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.4 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.6 mt -131.8 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.139 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -124.57 -32.99 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 63.21 110.802 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD1' HG12 ' A' ' 45' ' ' VAL . 11.9 t0 68.81 62.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.845 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.19 39.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 60.45 110.836 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.69 -45.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 41.34 111.142 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' N ' HG13 ' A' ' 51' ' ' VAL . 55.6 t -55.64 -35.32 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 72.13 111.1 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.01 -31.52 66.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 73.32 112.456 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.81 -36.2 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.33 111.136 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 64' ' ' VAL . 44.6 mt -51.77 -30.96 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 63.53 110.931 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 52.34 110.867 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -76.33 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.04 -31.14 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.51 111.1 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -66.42 -27.91 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -51.82 -32.98 33.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 54.42 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -114.11 29.49 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.41 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.88 68.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 53.24 112.54 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.37 -27.91 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 61.41 110.87 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.926 HG11 HD22 ' A' ' 55' ' ' LEU . 16.8 m -115.77 120.73 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.32 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.622 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -86.25 5.5 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.873 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.85 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 79' ' ' VAL . 13.1 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 54.35 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -90.38 119.58 30.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.927 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.44 128.84 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 63.5 110.932 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 -8.99 78.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 55.04 112.501 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -122.37 -52.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 74.21 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.8 m-20 -94.66 14.16 21.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.86 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.17 -26.1 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 54.15 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -68.16 -20.74 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 71' ' ' LEU . 75.5 t -55.52 114.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 71.12 111.131 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.46 118.31 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 75.44 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.59 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.86 111.92 24.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 62.03 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 tp -50.03 105.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.885 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.622 HD11 ' CG ' ' A' ' 65' ' ' HIS . 19.4 mt -97.83 89.28 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.914 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.878 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 73.21 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -69.35 -43.71 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 52.22 110.866 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.58 -42.34 87.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.905 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.861 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.7 mm -57.48 -19.99 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 41.54 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.6 ttt -51.27 -25.47 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.857 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.07 -57.5 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 73.51 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -45.77 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.34 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 t -48.03 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.887 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 23' ' ' THR . 47.6 t80 -53.75 -42.4 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.15 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.695 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -76.05 -39.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 33' ' ' ILE . 25.9 mm -64.21 -31.43 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.12 111.169 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -68.99 -28.76 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.802 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -69.31 -23.78 63.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.184 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 63.53 110.847 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 74.13 111.115 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.03 110.902 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 21' ' ' ILE . 6.9 m -154.46 153.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 64.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -87.06 155.46 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.114 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.7 -49.05 63.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.62 -47.23 52.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 60.42 112.443 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.09 -51.13 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 75.32 110.876 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.85 -49.5 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.879 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.766 ' O ' HG13 ' A' ' 45' ' ' VAL . 37.1 t80 -60.16 -52.27 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 62.34 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -19.23 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.83 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -93.25 -34.32 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.695 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.58 -27.5 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.922 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.3 m -56.15 -27.89 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 64.32 111.15 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -90.61 10.93 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.849 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -132.02 -71.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.03 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 -34.01 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.667 ' OD1' HG12 ' A' ' 45' ' ' VAL . 22.9 t0 69.15 64.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.27 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.592 HG21 HD22 ' A' ' 40' ' ' LEU . 4.1 p -53.8 -45.92 62.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 52.12 111.122 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.5 t -54.72 -34.18 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 50.44 111.132 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -33.6 66.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 65.14 112.499 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.99 -33.95 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 75.02 111.174 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.863 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.74 -30.91 24.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.04 110.924 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 mtm -58.75 -34.51 71.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 60.4 110.931 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -73.47 -55.05 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -56.37 -33.62 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.14 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' HG23 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -64.19 -27.78 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.903 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -51.87 -33.41 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.44 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -114.02 32.86 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.01 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.23 67.34 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 72.33 112.495 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.47 -26.44 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 73.14 110.941 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 55' ' ' LEU . 17.0 m -116.94 119.4 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 41.41 111.133 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -86.13 5.37 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 71.14 110.879 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.876 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD22 HG21 ' A' ' 79' ' ' VAL . 26.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 74.44 110.929 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -91.09 122.13 33.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -51.89 127.23 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.86 -7.79 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 55.04 112.459 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -122.0 -53.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 75.2 110.9 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 71' ' ' LEU . 3.1 m-20 -96.62 14.28 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.31 110.847 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -59.44 -26.5 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 51.45 110.832 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -69.11 -20.71 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.737 HG21 HD22 ' A' ' 71' ' ' LEU . 94.3 t -55.8 115.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.128 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -90.45 121.89 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.02 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.01 109.25 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.05 111.157 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.627 HG23 HD21 ' A' ' 84' ' ' LEU . 1.8 t -103.6 113.7 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.34 111.177 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 4.6 tp -48.8 105.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.965 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.4 mt -95.94 84.38 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.895 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 44.2 110.867 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 72.22 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -68.72 -42.8 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.22 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -41.55 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 63.52 110.902 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.811 HD12 ' HG ' ' A' ' 63' ' ' LEU . 48.1 mm -58.12 -20.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.11 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.32 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.51 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.98 -54.04 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -47.94 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.865 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.65 -38.07 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 23' ' ' THR . 45.5 t80 -53.89 -42.59 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.927 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.707 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.4 t -75.79 -39.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.31 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 27.1 mm -63.52 -31.23 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 61.41 111.109 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -69.87 -24.27 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.1 p -71.81 -27.1 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.1 111.13 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.713 ' HE3' HG11 ' A' ' 35' ' ' VAL . 48.6 mtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.907 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.627 HD12 HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 75.51 111.106 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 35' ' ' VAL . 21.6 mp0 -146.31 139.33 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 71.24 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.4 m -155.17 151.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.181 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -84.22 154.16 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.1 111.147 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.86 -47.66 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.15 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.59 -47.3 52.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.731 . . . . 42.23 112.474 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.3 -50.69 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 72.52 110.901 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -53.85 -49.26 68.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.982 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.5 t80 -60.66 -52.13 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.916 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -58.35 -18.66 29.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 75.45 110.833 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -93.54 -34.44 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.707 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.89 -26.92 43.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 70.03 110.936 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 31.5 m -56.31 -27.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 53.32 111.131 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -90.49 10.82 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 71.41 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.2 mt -131.99 -71.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 74.41 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -34.03 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 73.01 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.67 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.26 64.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.41 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.4 p -54.21 -45.38 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.114 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' N ' HG13 ' A' ' 51' ' ' VAL . 53.5 t -54.14 -37.53 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 61.33 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.84 -33.12 79.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 72.53 112.515 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.8 mt -76.78 -33.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.1 111.141 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.82 HD22 HG11 ' A' ' 64' ' ' VAL . 46.5 mt -51.59 -30.95 22.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -59.86 -35.33 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -70.65 -55.0 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 62.53 110.88 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.35 -32.36 68.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.113 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -27.61 69.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -51.74 -33.64 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -114.06 33.36 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 62.22 110.883 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.94 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 24.54 112.457 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.811 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.12 -25.94 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 52.23 110.941 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.82 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -118.54 117.37 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 51.51 111.113 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.549 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -85.99 5.14 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.895 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 63.33 110.846 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 79' ' ' VAL . 35.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 75.11 110.909 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -89.2 125.68 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 121.16 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 72.03 110.903 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.96 56.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 74.3 112.456 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -122.04 -52.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 72.21 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 71' ' ' LEU . 5.3 m-20 -92.19 14.21 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.24 110.892 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.44 -26.54 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 54.41 110.863 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -71.48 -19.18 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 71' ' ' LEU . 98.7 t -55.84 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.02 111.143 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.5 123.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 61.3 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.64 109.55 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.04 111.158 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.66 111.79 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.33 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 33' ' ' ILE . 5.5 tp -49.27 105.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 54.31 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.9 mt -93.47 85.26 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.31 110.957 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 72.3 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.859 0.361 . . . . 74.34 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -68.63 -44.75 73.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 60.41 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -42.72 87.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.803 HD12 ' HG ' ' A' ' 63' ' ' LEU . 43.4 mm -57.87 -21.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 45.15 111.13 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.64 8.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.882 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.12 -54.13 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 -46.77 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 64.32 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -47.69 -38.14 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' THR . 41.3 t80 -53.74 -43.02 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.914 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.1 t -76.14 -41.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.11 111.15 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.674 HG22 ' CG2' ' A' ' 33' ' ' ILE . 34.0 mm -61.73 -31.13 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.101 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -23.02 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -78.31 -22.01 48.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 41.42 111.128 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.848 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.674 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.797 0.332 . . . . 45.12 111.118 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.8 mp0 -148.16 139.2 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.903 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 21' ' ' ILE . 1.9 m -157.26 150.97 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 70.45 111.09 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 41.1 p -86.52 156.39 20.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 72.34 111.155 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 71' ' ' LEU . 4.9 t80 -51.63 -47.32 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 62.45 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.77 -47.55 52.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 34.01 112.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.99 -50.86 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 73.41 110.894 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.2 mt -53.78 -47.6 70.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.915 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 45' ' ' VAL . 40.3 t80 -61.94 -52.24 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.55 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.73 -18.06 28.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.821 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -93.66 -34.8 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.875 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.81 -26.99 44.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 73.53 110.917 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.26 -28.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 71.31 111.103 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -90.06 10.79 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 65.45 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -131.82 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.119 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.2 -33.86 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 54.23 110.896 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.658 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.18 66.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.857 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.98 -45.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 62.22 111.125 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 71' ' ' LEU . 56.0 t -54.34 -35.77 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.34 111.154 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.12 -31.83 66.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 62.14 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.2 mt -76.86 -35.57 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 54.32 111.174 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -52.18 -35.3 48.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.93 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.96 -28.38 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.836 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -50.85 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -60.82 -32.22 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -27.85 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.888 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -51.84 -33.48 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.955 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -114.04 31.89 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 44.55 110.886 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 66.77 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 61.22 112.547 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.803 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.39 -27.98 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 71.15 110.908 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.783 HG11 HD22 ' A' ' 55' ' ' LEU . 9.3 m -113.44 121.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 61.15 111.144 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.696 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -88.07 7.82 29.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 54.33 110.891 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.892 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 52' ' ' VAL . 5.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.778 0.323 . . . . 74.11 110.931 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -101.11 122.51 43.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.889 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.41 116.96 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.946 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 -11.4 56.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 74.11 112.501 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -122.11 -55.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 72.23 110.933 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.13 14.14 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.899 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.76 -26.49 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -78.01 -18.31 56.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 54.01 110.85 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 71' ' ' LEU . 88.9 t -55.8 115.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.41 111.1 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.3 t -89.73 121.15 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.41 111.164 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.82 109.39 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.161 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.41 113.02 26.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 70.51 111.136 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.548 ' CD2' HD12 ' A' ' 33' ' ' ILE . 5.2 tp -48.96 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.696 HD11 ' CG ' ' A' ' 65' ' ' HIS . 27.5 mt -96.41 89.38 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.9 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.872 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.529 -0.228 . . . . 62.53 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.58 179.75 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 52.25 111.124 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 mmt -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.845 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.55 -169.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 71.5 111.098 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -89.58 -31.84 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.78 40.32 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 63.13 111.052 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -54.39 -32.34 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.85 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.1 -25.97 52.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.08 0.31 41.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG22 ' CD2' ' A' ' 11' ' ' TYR . 35.7 mm -77.81 -41.69 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 70.34 111.123 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' CD2' HG22 ' A' ' 10' ' ' ILE . 71.2 m-85 -145.34 126.09 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.858 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -57.77 -41.87 82.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.983 HD12 HD13 ' A' ' 63' ' ' LEU . 33.8 mm -55.56 -22.03 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.01 111.166 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.5 ttp -47.67 -30.42 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.886 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.32 -51.24 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.925 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.37 -49.98 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 t -47.44 -38.74 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.3 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 23' ' ' THR . 13.7 t80 -53.74 -42.88 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 75.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 ' CE1' ' A' ' 44' ' ' TYR . 83.3 t -76.36 -41.8 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 65.41 111.114 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 25.3 mm -60.55 -33.17 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.42 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.65 -24.77 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.836 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.8 p -77.21 -43.68 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.02 111.119 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 mmt -72.56 -57.33 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.854 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.644 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -95.91 127.37 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 52.11 111.114 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -84.86 1.73 45.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.862 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -56.21 -23.16 33.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.41 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -30.44 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 62.2 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.76 84.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.878 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -32.3 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.836 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.71 -113.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 70.13 112.482 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -54.8 153.42 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 64.11 110.888 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.9 mt -123.04 150.81 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.116 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -149.21 140.44 23.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 25' ' ' ALA . 3.8 m -154.38 149.45 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.21 111.151 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 7.7 p -83.33 153.88 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.2 111.175 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.87 -50.71 60.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.14 46.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 50.11 112.466 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.94 -50.34 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 75.32 110.933 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.99 -53.75 48.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.35 110.921 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 23.6 t80 -57.0 -50.95 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.864 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -57.78 -18.7 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -94.52 -34.47 12.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 62.22 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.624 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.7 -25.95 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.931 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.1 m -56.33 -27.89 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.41 111.11 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.82 10.71 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -131.79 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.81 -32.65 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 50.13 110.886 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.7 t0 68.65 63.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 74.43 110.861 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.14 38.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 72.14 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.0 p -53.31 -45.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.081 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' N ' HG13 ' A' ' 51' ' ' VAL . 61.8 t -55.31 -35.15 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.117 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -32.83 65.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 55.1 112.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.1 mt -77.08 -32.55 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 72.13 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 64' ' ' VAL . 46.6 mt -51.78 -31.08 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.55 110.912 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -34.78 73.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.855 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -67.88 -46.65 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.9 -35.53 80.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 50.21 111.123 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -58.43 -27.49 64.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -51.97 -30.94 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 65.53 110.867 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -113.96 24.84 11.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.93 66.18 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 53.3 112.533 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 14' ' ' ILE . 1.4 tt -114.02 -17.69 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.54 110.925 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -112.51 116.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.174 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -84.41 3.11 37.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.85 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.24 161.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 63.12 110.885 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.12 160.5 20.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.86 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.27 164.21 38.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 31.35 112.52 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -82.26 -15.7 52.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 60.21 110.872 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.746 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.5 ptp -167.04 170.46 11.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 45.53 110.85 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 79' ' ' VAL . 12.2 mt -127.98 121.84 30.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 72.33 110.943 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -91.19 122.02 33.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.931 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 128.65 24.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.14 110.945 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.09 -6.53 83.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 20.24 112.476 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -122.17 -54.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 71.03 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -94.9 14.6 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 63.53 110.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.22 -26.17 50.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.63 -20.82 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 63.52 110.857 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 71' ' ' LEU . 81.0 t -55.51 114.77 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 70.43 111.12 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 36' ' ' THR . 76.6 t -93.3 112.3 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.186 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.59 109.2 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.52 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tp -49.18 105.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 70.44 110.951 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 65' ' ' HIS . 48.6 mt -94.59 93.38 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 71.53 110.931 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 63' ' ' LEU . 23.9 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 45.52 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.512 -0.235 . . . . 62.32 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.91 -170.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 74.11 111.081 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.72 124.95 29.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 44.24 110.883 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.69 -169.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 72.5 111.102 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -89.42 -31.31 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.846 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.72 40.16 26.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.26 -31.83 61.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 72.51 110.862 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.95 -24.72 59.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.17 0.45 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.638 HG22 ' CD2' ' A' ' 11' ' ' TYR . 37.8 mm -79.45 -58.99 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 75.55 111.136 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CD2' HG22 ' A' ' 10' ' ' ILE . 41.0 m-85 -130.45 124.18 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 74.03 110.937 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -68.37 -43.05 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.3 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.73 -39.91 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 63.11 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.3 mm -57.7 -22.91 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.24 111.107 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -52.54 -25.64 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -55.46 -52.81 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -47.63 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.05 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.44 -38.51 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 63.54 110.866 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.92 -42.05 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 44' ' ' TYR . 73.0 t -75.91 -38.71 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 60.22 111.147 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 19.7 mm -64.35 -29.88 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.146 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.68 -23.56 61.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -71.79 -44.09 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.134 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.9 mmm -82.29 -56.48 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -97.06 120.79 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 42.41 111.088 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -90.62 11.77 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 54.14 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -55.85 -22.47 25.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.824 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -50.29 -31.08 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 52.33 110.855 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.6 ttm-85 -65.74 -36.83 84.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.809 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.96 -32.41 20.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 54.32 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 164.93 -114.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 32.24 112.484 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -73.16 153.46 40.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 73.24 110.896 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.615 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.2 mt -108.85 153.02 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.11 111.148 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -148.99 139.94 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.03 110.91 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 21' ' ' ILE . 6.4 m -153.75 149.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.157 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 80' ' ' VAL . 29.3 p -83.75 153.06 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 65.03 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.85 -49.28 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 64.44 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.94 -46.72 55.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 61.32 112.491 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.22 -51.3 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 73.53 110.906 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.74 -50.83 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 63.13 110.898 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -59.83 -51.76 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 51.15 110.838 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.03 -18.36 23.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.845 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -94.39 -34.76 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.854 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.66 -25.9 44.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 51.35 110.939 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.7 m -56.34 -27.74 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 63.11 111.105 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -90.11 10.75 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.11 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -131.84 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 72.44 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.75 -33.08 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 61.31 110.848 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.703 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.1 t0 68.74 63.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 61.22 110.874 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.54 -45.63 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 54.41 111.106 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 71' ' ' LEU . 60.9 t -55.33 -35.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.24 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -31.35 66.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 65.13 112.494 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.77 -35.83 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 75.14 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD22 HG11 ' A' ' 64' ' ' VAL . 48.4 mt -51.77 -33.74 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.24 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 mtp -55.09 -30.12 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.914 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.41 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.854 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -71.21 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.34 111.11 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -27.6 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 63.35 110.845 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -51.55 -33.69 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -114.07 32.41 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.7 66.76 2.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 72.15 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.43 -27.27 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 74.22 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.652 HG11 HD22 ' A' ' 55' ' ' LEU . 5.2 m -111.54 120.31 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.139 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -85.58 -4.69 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 51.34 110.879 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.98 161.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 62.33 110.877 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.21 174.46 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.888 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.19 -169.39 0.6 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 70.11 112.498 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -120.06 22.67 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 72.45 110.928 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 ptp -176.79 162.64 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 63.45 110.86 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -135.39 121.78 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.9 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -84.39 114.48 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.954 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.07 116.9 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 74.44 110.915 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -13.14 44.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 72.44 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -122.13 -53.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 73.5 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.08 14.17 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 60.5 110.882 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.14 -26.46 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -71.38 -19.75 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 71' ' ' LEU . 98.9 t -55.71 114.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 70.31 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 36' ' ' THR . 69.5 t -89.68 111.34 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 61.52 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.92 109.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.178 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.559 HG23 HD21 ' A' ' 84' ' ' LEU . 1.5 t -100.43 111.43 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 61.33 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 8.2 tp -48.35 105.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.939 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 33.7 mt -92.13 85.76 5.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.879 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.477 -0.249 . . . . 40.2 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.74 -60.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.12 111.07 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.1 mtp -141.73 -74.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.89 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 57.92 -169.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 61.05 111.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -90.63 -35.73 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.76 39.85 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.45 111.092 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.41 -31.74 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.901 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -77.27 -25.76 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.877 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.477 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -81.98 0.32 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.883 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.662 HG22 ' CD2' ' A' ' 11' ' ' TYR . 39.1 mm -74.67 -34.89 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.1 111.115 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.662 ' CD2' HG22 ' A' ' 10' ' ' ILE . 74.3 m-85 -153.57 124.84 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 71.23 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.64 -41.29 79.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.22 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.62 -41.53 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 52.42 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.96 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -55.53 -22.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.02 111.166 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -30.26 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.859 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -56.94 -50.31 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 64.43 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -50.85 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.62 -36.03 10.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.861 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 23' ' ' THR . 45.6 t80 -56.49 -42.81 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 44' ' ' TYR . 74.7 t -75.75 -36.92 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.02 111.115 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.655 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.8 mm -66.9 -35.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.1 111.145 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -65.58 -28.5 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.8 p -70.8 -36.05 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.155 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.672 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.6 mtm -76.88 -56.53 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 64.23 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.755 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -79.86 140.27 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 52.13 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -111.02 -75.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 61.24 110.832 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.19 -31.46 43.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.755 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -54.33 -27.19 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -51.64 -29.08 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.868 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.37 -32.22 72.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.865 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.95 -112.47 0.88 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 62.14 112.495 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -90.52 153.04 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 75.42 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt -109.78 143.71 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 72.21 111.121 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.2 mp0 -148.7 140.39 23.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.915 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.1 m -154.78 150.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.52 111.107 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 80' ' ' VAL . 24.8 p -82.14 157.96 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.135 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.68 -45.97 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.92 -46.59 49.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 45.43 112.474 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.4 -49.21 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 54.35 110.913 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.655 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.35 -46.65 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.05 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.784 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.9 t80 -64.44 -53.28 50.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.62 -18.02 26.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 62.13 110.833 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 64.05 110.854 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.92 -26.17 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.932 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.5 m -56.32 -27.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.1 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.81 10.69 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.866 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -131.78 -71.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 70.51 111.145 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -124.01 -32.43 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.15 110.839 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t0 68.5 62.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.829 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.75 -45.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 71.12 111.145 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.4 t -55.58 -35.28 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.04 111.149 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.02 -32.04 66.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 71.03 112.506 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -34.07 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 51.53 111.146 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.68 -31.01 24.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 71.3 110.933 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.2 mtp -57.28 -32.7 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 64.04 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -70.95 -48.16 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.954 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.85 -30.87 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.02 111.121 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -27.67 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.874 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -52.1 -31.26 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 61.21 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -113.79 23.64 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 74.31 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.79 67.32 2.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 63.25 112.5 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.96 HD13 HD12 ' A' ' 14' ' ' ILE . 1.3 tt -114.0 -17.26 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 74.24 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -113.0 116.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 74.54 111.122 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.1 t-80 -84.56 3.23 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.23 110.844 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.01 161.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.01 110.87 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -105.27 153.43 21.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.914 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.23 155.74 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 55.54 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.43 -18.1 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.337 . . . . 74.25 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.714 ' O ' HD23 ' A' ' 71' ' ' LEU . 32.3 mtp -151.86 165.04 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 70.51 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 70' ' ' MET . 24.2 mt -128.77 121.96 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.937 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -92.81 129.7 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.903 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -60.32 119.23 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.69 -13.54 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 45.31 112.467 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -122.11 -43.93 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 74.11 110.904 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.82 14.33 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.84 -26.37 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.848 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -73.66 -18.79 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.851 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.71 HG21 HD22 ' A' ' 71' ' ' LEU . 93.7 t -55.7 114.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.53 111.138 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 36' ' ' THR . 79.9 t -91.65 113.22 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 65.24 111.089 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.61 109.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.098 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.93 112.15 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 53.33 111.152 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.76 105.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.903 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.2 mt -93.71 87.47 5.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.914 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.451 -0.26 . . . . 64.34 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.0 -177.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 63.32 111.107 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.18 147.2 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 61.11 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 -169.77 2.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 34.03 111.112 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.77 -42.54 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 70.24 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 9' ' ' HIS . . . 51.47 41.59 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.089 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -55.02 -33.0 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -22.74 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 70.24 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 10.7 t-160 -82.14 1.52 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.854 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -87.12 -52.95 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -126.6 117.57 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.2 79.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.28 -40.52 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.904 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.842 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.5 mm -57.72 -20.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.128 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttt -52.37 -25.4 9.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.02 110.849 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.85 -54.19 45.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.03 110.916 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -46.1 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 54.12 110.887 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -47.9 -38.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 43.52 110.847 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' THR . 18.7 t80 -53.98 -42.0 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.913 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.5 t -75.88 -37.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 72.02 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.3 mm -65.49 -34.23 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.165 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -27.49 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.869 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.4 p -72.32 -25.84 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.4 111.142 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.66 ' HE3' HG11 ' A' ' 35' ' ' VAL . 34.5 mtm -88.68 -57.2 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.858 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -77.35 147.62 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 60.33 111.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -116.0 -75.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 54.44 110.923 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -54.36 -25.91 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.83 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.555 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -54.24 -26.95 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.865 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -51.29 -29.56 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.43 -32.23 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.18 -121.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 43.11 112.501 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -80.4 153.04 28.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 73.24 110.935 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt -109.89 147.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.45 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -149.29 140.25 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 60.32 110.864 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.2 m -153.88 150.76 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 HG22 ' A' ' 80' ' ' VAL . 24.2 p -83.47 156.35 22.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.164 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.34 -46.13 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.874 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.06 50.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 41.44 112.463 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.57 -50.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 72.31 110.894 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.7 mt -54.0 -45.81 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.929 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.777 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.6 t80 -65.12 -53.07 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -58.96 -17.95 29.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 61.12 110.88 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -93.49 -34.75 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.44 110.824 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.82 -27.22 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.914 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.22 -27.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.55 111.176 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -89.96 10.69 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.905 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.79 -71.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.32 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.47 -34.0 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 55.22 110.866 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t0 69.25 66.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 73.34 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.77 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 62.13 110.92 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -54.02 -45.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.5 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.3 t -53.99 -34.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.02 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.09 -33.21 65.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 63.11 112.496 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.0 mt -76.82 -32.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 64.52 111.14 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HG11 ' A' ' 64' ' ' VAL . 45.9 mt -51.77 -31.16 25.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.903 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.4 mtt -60.38 -34.42 73.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 61.44 110.884 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -71.79 -55.02 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.875 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.65 -31.09 67.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -65.24 -27.89 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.843 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -51.89 -33.38 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 61.11 110.877 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -114.01 32.26 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 51.5 110.856 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.61 1.94 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 53.24 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.842 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -113.99 -24.56 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 72.23 110.932 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.888 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -120.14 118.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.122 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.611 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -88.21 8.24 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 61.12 110.836 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 161.08 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.05 110.884 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.99 160.25 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.27 146.89 1.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 32.21 112.489 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -72.29 -18.81 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.3 110.891 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.567 ' O ' HD23 ' A' ' 71' ' ' LEU . 9.6 mtt -151.64 158.19 43.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.846 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.824 HD22 HG21 ' A' ' 79' ' ' VAL . 32.3 mt -126.43 121.96 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 55.13 110.981 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -92.22 121.33 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.938 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 127.93 22.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.23 -7.68 80.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 51.45 112.496 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -122.26 -39.39 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 74.43 110.898 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -113.39 14.15 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 63.2 110.864 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -56.4 -26.18 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -69.22 -20.66 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.824 HG21 HD22 ' A' ' 71' ' ' LEU . 81.4 t -55.46 114.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 36' ' ' THR . 71.2 t -91.96 116.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.12 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.84 109.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -102.15 111.6 23.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 62.52 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.68 105.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD11 ' CG ' ' A' ' 65' ' ' HIS . 43.0 mt -94.73 85.24 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.899 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 54.02 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.464 -0.254 . . . . 74.43 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.79 -169.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 74.43 111.073 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.7 mtt -57.86 135.69 56.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.21 -169.78 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 44.35 111.101 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.77 -41.14 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.904 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.74 40.05 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -55.38 -32.8 62.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.851 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -77.45 -23.6 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.846 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.3 t-80 -82.25 1.36 37.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.847 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -85.56 -59.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 60.1 111.172 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -117.39 117.84 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 73.15 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -68.69 -42.32 77.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.21 -41.18 83.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 61.33 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 45.3 mm -57.44 -21.62 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 51.15 111.153 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.67 -25.87 8.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.14 110.873 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.06 -53.64 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 72.44 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.4 -45.7 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.895 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.72 -38.7 15.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 71.01 110.896 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' THR . 51.8 t80 -53.75 -42.15 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -75.97 -39.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.7 mm -62.59 -34.49 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -29.09 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -70.62 -29.64 66.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.18 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mmm -83.58 -57.39 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -79.06 141.69 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 50.3 111.081 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.41 -76.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.895 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -55.05 -29.5 57.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 52.24 110.855 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' CG ' ' HB1' ' A' ' 25' ' ' ALA . 21.4 mmt180 -59.93 -25.95 65.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.866 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -50.95 -28.23 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.864 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.9 -32.23 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.902 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.63 -124.42 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 65.22 112.465 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -79.64 137.54 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.299 . . . . 73.44 110.935 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt -95.7 144.76 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.158 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -147.42 139.78 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.954 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -154.5 151.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 53.05 111.121 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 40.5 p -84.19 156.28 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.05 111.119 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.38 -47.99 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.52 -47.44 51.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 70.14 112.48 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -65.87 -50.86 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 71.21 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 51' ' ' VAL . 1.1 mt -53.83 -51.58 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 70.43 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.768 ' O ' HG13 ' A' ' 45' ' ' VAL . 29.3 t80 -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 64.04 110.86 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.91 -18.55 23.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 61.42 110.91 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -94.47 -34.47 12.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.675 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.76 -26.03 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.907 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 41' ' ' PHE . 26.4 m -56.29 -27.91 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 34.31 111.131 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -90.19 10.93 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 62.22 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.85 -71.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.31 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 -33.41 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.844 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.1 t0 68.78 64.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 63.15 110.878 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 60.11 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.72 -45.69 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.096 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' N ' HG13 ' A' ' 51' ' ' VAL . 52.9 t -54.07 -36.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 72.02 111.107 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.43 66.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 74.52 112.446 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.6 mt -76.72 -36.65 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 72.24 111.109 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 64' ' ' VAL . 46.1 mt -51.79 -30.99 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.872 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.4 mmm -56.77 -32.25 65.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.12 110.933 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -77.49 -41.09 40.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.896 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -69.19 -32.28 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.4 111.072 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.08 -27.84 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.843 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -51.69 -33.47 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.944 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -114.1 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.826 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.28 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 75.12 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.94 -26.31 8.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 54.43 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG11 HD22 ' A' ' 55' ' ' LEU . 5.4 m -114.26 117.4 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 60.41 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.627 ' CG ' HD11 ' A' ' 84' ' ' LEU . 2.1 t-160 -84.51 3.23 37.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.916 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.99 161.32 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.856 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.81 172.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 72.34 110.918 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.33 54.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.473 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -151.94 33.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 73.44 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.729 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.2 mmt 61.94 165.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 62.51 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 70' ' ' MET . 15.6 mt -127.48 121.78 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 55.44 110.937 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -100.47 128.14 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.904 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 122.93 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.09 58.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 60.12 112.457 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -122.0 -55.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 61.42 110.925 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' HD22 ' A' ' 71' ' ' LEU . 10.4 m-20 -92.43 14.31 16.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.866 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.22 -26.46 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 60.4 110.839 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.22 -17.69 59.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 63.2 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.724 HG21 HD22 ' A' ' 71' ' ' LEU . 84.9 t -55.68 112.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.44 111.145 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.4 t -87.52 113.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 62.52 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.1 108.91 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 63.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -101.28 112.44 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 70.31 111.087 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 7.0 tp -48.55 105.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 54.03 110.945 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.627 HD11 ' CG ' ' A' ' 65' ' ' HIS . 51.9 mt -93.2 85.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 65.51 110.91 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.512 -0.235 . . . . 42.15 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.99 -73.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 64.04 111.117 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.4 mtt -124.35 175.21 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 75.01 110.875 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.24 -169.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 54.44 111.096 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -91.16 -31.47 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.875 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.62 33.75 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 70.55 111.115 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -54.36 -31.13 53.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 73.02 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.01 -27.52 54.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.03 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.49 1.55 37.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 62.32 110.828 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.599 HG22 ' CD2' ' A' ' 11' ' ' TYR . 44.9 mm -72.52 -40.18 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 70.14 111.154 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' HG22 ' A' ' 10' ' ' ILE . 25.5 m-85 -150.83 128.88 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 65.24 110.903 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -44.13 72.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.97 -38.82 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.857 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.0 mm -58.69 -22.55 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 70.33 111.104 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.7 mtp -52.6 -25.3 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -54.84 -54.23 45.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 61.05 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -47.84 10.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 73.42 110.892 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.28 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 61.53 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 16.1 t80 -53.98 -42.3 68.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.22 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.2 t -75.94 -39.96 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.1 111.11 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 22.4 mm -62.84 -36.67 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.51 111.134 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.51 -27.65 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.3 p -74.59 -32.32 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 61.23 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -51.65 10.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.01 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -85.63 148.85 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.07 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -114.97 -75.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 75.42 110.875 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -57.67 -25.95 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.832 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HG3' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mtt-85 -67.2 -26.87 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.892 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -51.64 -27.78 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -32.09 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.08 -121.73 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 71.45 112.482 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -78.59 130.51 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 54.54 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.9 mt -94.32 146.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 61.15 111.11 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -147.72 140.06 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD12 ' A' ' 21' ' ' ILE . 5.5 m -153.89 151.63 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.21 111.167 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 80' ' ' VAL . 11.3 p -85.72 154.83 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.12 111.13 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.09 -48.57 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.95 -47.21 54.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 74.12 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.2 -51.26 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 73.01 110.875 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.905 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.794 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.8 t80 -58.93 -52.39 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.879 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG22 ' A' ' 45' ' ' VAL . 17.2 t70 -57.07 -19.4 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.95 -33.94 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.23 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.697 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -79.03 -26.17 43.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.9 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.794 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.0 m -56.16 -28.19 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.43 111.167 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -90.18 11.08 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.851 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -131.91 -71.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.138 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -126.82 -33.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.854 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.559 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.5 t0 68.91 64.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.86 36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.03 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.2 p -53.9 -45.55 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 44.22 111.111 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.0 t -53.69 -39.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 54.22 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.38 -33.21 84.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 52.04 112.491 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.6 mt -76.94 -33.96 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 71.31 111.161 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 HG11 ' A' ' 64' ' ' VAL . 44.8 mt -51.89 -30.98 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.914 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.0 mtm -59.5 -34.02 72.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.54 -55.09 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.33 111.112 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -64.48 -27.69 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -51.73 -33.46 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -114.09 33.24 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.825 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.83 67.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 60.42 112.467 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.857 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.02 -26.98 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 71.35 110.951 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 55' ' ' LEU . 16.3 m -117.71 119.16 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 74.05 111.121 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -87.19 7.28 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.852 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 161.24 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.889 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.42 -173.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.98 -169.81 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 52.4 112.51 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 60.28 34.6 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 75.04 110.864 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.707 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.2 mmt 55.45 -176.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.892 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 79' ' ' VAL . 38.0 mt -131.56 124.35 29.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.54 110.9 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -91.32 125.1 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 120.95 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.05 110.915 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.98 -15.75 47.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 73.44 112.462 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -122.13 -49.77 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 72.11 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.43 14.25 21.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 72.31 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.56 -26.35 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -71.9 -18.66 62.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.857 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.758 HG21 HD22 ' A' ' 71' ' ' LEU . 96.1 t -55.71 114.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 36' ' ' THR . 74.5 t -90.86 117.43 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 55.34 111.176 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.05 109.37 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.168 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.71 112.49 25.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.33 111.13 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.39 105.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.9 mt -93.32 85.63 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HG2' HD23 ' A' ' 63' ' ' LEU . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.932 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.453 -0.259 . . . . 53.21 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.18 -175.12 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.334 . . . . 60.4 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.3 mtp 52.36 38.13 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 61.2 110.865 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 34.44 111.104 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.87 -35.03 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.845 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 9' ' ' HIS . . . 51.81 34.6 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.099 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -53.8 -32.56 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.934 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.35 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.14 110.895 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.502 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 28.9 t-80 -82.04 0.43 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.4 110.898 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 11' ' ' TYR . 45.6 mm -72.23 -52.49 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 64.21 111.132 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD2' HG22 ' A' ' 10' ' ' ILE . 47.6 m-85 -132.21 125.8 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -69.19 -43.47 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.14 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.54 -39.0 78.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.972 HD12 HD13 ' A' ' 63' ' ' LEU . 27.8 mm -56.0 -21.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 64.24 111.138 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptm -47.8 -30.07 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.876 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.16 -50.84 70.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.43 -50.39 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 65.43 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.2 t -47.61 -37.04 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.912 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 16.7 t80 -55.42 -42.57 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 70.41 110.862 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 44' ' ' TYR . 82.9 t -75.87 -36.77 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 55.34 111.153 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 33.9 mm -66.47 -34.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.32 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -65.97 -29.12 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.2 p -69.49 -34.15 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.173 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.652 ' HE3' HG11 ' A' ' 35' ' ' VAL . 31.7 mtm -79.84 -57.01 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -79.34 138.36 37.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.414 . . . . 71.43 111.064 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -111.23 -75.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -31.46 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.1 110.826 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 23.6 mmt180 -54.74 -26.94 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 65.23 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -51.55 -27.56 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.52 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.09 -32.17 71.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.47 -116.58 1.38 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 70.34 112.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -90.86 138.59 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 71.2 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt -93.76 140.52 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.23 111.166 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -145.84 140.4 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 71.22 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.3 m -154.66 151.06 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 HG22 ' A' ' 80' ' ' VAL . 11.7 p -82.92 159.08 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 44.44 111.116 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.23 -45.71 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.4 110.88 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.96 -45.98 50.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 75.4 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.47 -49.13 57.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 63.2 110.861 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -54.87 -43.72 73.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.901 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.782 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.7 t80 -66.99 -53.06 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -59.2 -17.05 24.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.892 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -94.25 -35.62 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.859 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.95 -26.08 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.89 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.25 -27.89 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 71.2 111.146 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -89.67 10.69 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.76 -71.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.2 111.096 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.36 -32.54 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.33 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t0 68.54 62.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.14 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.34 110.881 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.43 -45.49 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.24 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' VAL . 54.7 t -55.47 -35.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.23 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -31.82 66.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 50.14 112.493 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.93 -34.07 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 70.3 111.141 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 HG11 ' A' ' 64' ' ' VAL . 45.4 mt -51.74 -32.55 31.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.872 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.2 mtt -55.63 -31.21 62.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -73.49 -48.22 35.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 61.32 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.981 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.75 -29.73 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.5 111.135 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -64.72 -27.84 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 61.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -52.01 -35.5 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -108.06 23.47 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.95 66.96 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 45.41 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.981 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.5 tt -114.02 -17.03 12.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 63.22 110.865 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 55' ' ' LEU . 3.7 m -112.84 116.79 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.43 111.099 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.6 t-160 -83.69 2.08 39.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.852 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.52 161.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.23 158.74 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.2 110.914 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 163.99 38.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 43.23 112.499 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.03 -15.74 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.01 110.886 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.719 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -164.7 170.04 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 64.5 110.868 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 79' ' ' VAL . 15.7 mt -127.57 122.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.902 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -96.15 130.47 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.15 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.9 123.58 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.25 110.893 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.78 -3.14 87.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 62.24 112.535 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -122.22 -37.07 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 74.43 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m-20 -117.44 14.49 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.68 -26.24 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.32 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -72.17 -20.89 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.861 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 71' ' ' LEU . 94.0 t -55.6 112.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.096 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 36' ' ' THR . 77.2 t -90.1 111.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.4 109.17 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 72.34 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.96 111.71 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.31 111.096 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.58 105.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.02 110.953 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.2 88.69 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 65.13 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 62.15 110.88 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 63.35 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.51 -64.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 75.42 111.12 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtm -121.46 88.93 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.866 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.46 -169.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 54.44 111.073 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -90.18 -38.72 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.61 40.37 27.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.102 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -56.0 -32.26 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.856 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -25.75 50.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -82.28 1.11 38.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.54 110.896 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 11' ' ' TYR . 42.0 mm -75.46 -56.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 65.13 111.11 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.653 ' CD2' HG22 ' A' ' 10' ' ' ILE . 53.9 m-85 -132.33 129.56 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -68.5 -43.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.05 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -57.15 -39.67 75.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 54.42 110.911 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.1 mm -58.49 -25.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.2 111.171 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.9 mtp -53.13 -25.09 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 60.14 110.873 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -54.74 -53.36 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.876 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.23 -45.3 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.93 -38.61 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 62.01 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 23' ' ' THR . 49.7 t80 -54.15 -42.08 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.8 t -75.85 -36.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.634 ' CD1' HD21 ' A' ' 40' ' ' LEU . 25.4 mm -66.27 -35.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.096 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -27.13 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 63.03 110.871 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.9 p -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 75.21 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.657 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.9 mtm -85.38 -57.3 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.855 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -77.42 149.42 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 44.14 111.093 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.19 -75.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.918 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -54.75 -25.51 28.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.898 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 8.6 mpt_? -54.05 -27.13 30.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -51.59 -28.42 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.43 -32.13 72.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.68 -118.39 0.91 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 70.14 112.461 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -83.65 153.15 24.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 71.41 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt -109.89 146.33 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.41 111.109 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.68 140.2 24.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 70.03 110.915 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.0 m -153.93 151.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 50.03 111.084 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 80' ' ' VAL . 22.7 p -82.98 156.52 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 70.34 111.127 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.48 -46.18 80.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.87 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.99 -46.45 50.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 60.3 112.483 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.4 -49.19 61.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.29 -46.86 72.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.848 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.0 t80 -64.32 -53.29 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 70.11 110.917 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.53 -17.96 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 73.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -94.13 -35.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.844 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.669 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.81 -26.27 44.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.928 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.7 m -56.28 -27.81 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 71.33 111.124 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -89.7 10.66 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.24 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mt -131.76 -71.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.52 110.866 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.9 t0 68.52 62.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.15 110.861 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.3 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.57 -45.49 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 72.5 111.137 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.3 t -55.63 -35.44 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 55.03 111.158 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.99 -31.34 66.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.735 -0.745 . . . . 51.31 112.514 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.78 -36.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 74.25 111.117 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.883 HD22 HG11 ' A' ' 64' ' ' VAL . 44.3 mt -51.77 -31.01 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 61.12 110.889 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.64 -30.43 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -79.04 -54.13 6.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 63.24 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -57.78 -32.92 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 55.14 111.094 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -64.56 -27.88 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -51.9 -33.45 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 54.13 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -114.0 32.75 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.876 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.97 67.74 1.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 65.52 112.497 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.06 -25.33 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 63.32 110.891 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.883 HG11 HD22 ' A' ' 55' ' ' LEU . 13.4 m -117.34 116.94 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.646 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -84.85 3.7 36.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.878 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.72 161.23 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.03 110.879 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.87 -173.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 52.03 110.881 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.59 -170.96 24.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.495 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 62.05 28.69 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 72.24 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.728 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.7 mtt 59.25 -175.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 72.54 110.897 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.731 HD22 HG21 ' A' ' 79' ' ' VAL . 25.1 mt -129.65 121.97 28.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.01 110.897 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.23 131.36 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.01 117.69 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.43 110.947 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.26 -13.99 47.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 43.1 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -122.03 -40.84 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 61.24 110.924 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.1 14.36 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.849 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.32 -26.41 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 54.55 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -75.73 -17.55 59.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 61.14 110.88 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.731 HG21 HD22 ' A' ' 71' ' ' LEU . 89.4 t -55.77 114.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.42 111.11 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 36' ' ' THR . 73.5 t -89.29 115.37 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 75.44 111.106 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.66 109.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.3 111.1 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 43.14 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -48.16 105.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.94 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 65' ' ' HIS . 30.8 mt -94.17 85.43 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.936 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.626 ' HG2' HD23 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.475 -0.25 . . . . 63.32 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.06 -176.46 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 64.11 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mtm -53.86 157.37 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.914 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.79 -169.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 65.43 111.138 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -91.51 -33.62 15.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.82 34.86 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 43.2 111.092 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.33 -32.5 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.19 -22.82 51.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -82.15 0.97 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 63.4 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.581 HG22 ' CD2' ' A' ' 11' ' ' TYR . 45.1 mm -75.18 -43.27 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.125 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' HG22 ' A' ' 10' ' ' ILE . 28.5 m-85 -144.72 127.73 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 73.12 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -44.02 75.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 52.12 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -41.21 84.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.889 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.81 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.3 mm -57.87 -21.44 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.146 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttt -52.35 -25.52 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 62.25 110.874 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.89 -54.06 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 72.52 110.869 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -48.32 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 60.52 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.3 t -48.09 -34.81 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' THR . 16.6 t80 -58.07 -41.86 84.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.854 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.694 HG11 ' CE1' ' A' ' 44' ' ' TYR . 78.5 t -76.73 -33.58 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.093 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.659 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.0 mm -70.31 -35.83 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 53.4 111.14 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -20.28 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 72.15 110.899 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -79.26 -23.24 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.24 111.178 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.51 -53.44 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 65.4 110.937 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -90.15 153.86 20.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.45 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.66 61.37 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.15 110.89 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.63 -23.96 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 44.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -38.75 31.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.934 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.13 -2.2 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.73 16.05 24.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.26 -103.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.494 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -67.26 153.19 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 73.23 110.898 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.692 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -106.84 136.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 55.11 111.142 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -146.87 139.44 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.921 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -154.35 151.57 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 71.43 111.143 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -84.54 154.94 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.04 111.166 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.5 -49.42 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.849 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.9 -47.53 53.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 41.44 112.462 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.35 -51.12 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 72.44 110.89 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.79 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 65.41 110.881 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 35.7 t80 -58.8 -51.19 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.874 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.03 -18.83 26.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.55 110.845 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -93.77 -34.51 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.75 -26.75 44.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 64.03 110.936 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.33 -27.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.52 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.48 10.95 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.12 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.9 mt -132.14 -71.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 -34.08 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 69.13 64.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.33 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.5 35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.876 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.3 p -53.99 -45.73 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 64.3 111.148 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t -53.87 -35.07 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.32 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.66 65.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 63.21 112.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -77.01 -32.77 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 73.21 111.134 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.0 mt -51.56 -33.35 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.15 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.46 -36.3 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.882 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -67.31 -49.56 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 62.31 110.846 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -64.88 -30.03 71.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.01 111.144 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -64.96 -27.75 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.824 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -51.74 -33.34 34.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -114.14 33.12 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.15 110.848 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.32 67.44 1.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 70.34 112.516 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.0 -25.4 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 61.34 110.906 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG11 HD22 ' A' ' 55' ' ' LEU . 22.8 m -114.52 123.14 69.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.14 111.138 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.656 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.06 13.2 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.23 110.846 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -65.23 161.12 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.89 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.86 -174.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.41 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.77 65.86 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.476 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -151.83 32.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 74.23 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mtt 65.96 147.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 44.35 110.876 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HG11 ' A' ' 79' ' ' VAL . 1.2 mp -112.3 122.24 47.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.35 110.901 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -114.78 127.02 55.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.963 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 124.02 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 61.23 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.99 -5.69 78.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 75.11 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -122.13 -55.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 75.12 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 71' ' ' LEU . 5.0 m-20 -95.54 14.27 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.19 -26.44 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -72.51 -19.08 61.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 71' ' ' LEU . 68.8 t -55.61 115.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.32 111.105 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -92.31 111.0 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.04 109.6 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.94 112.27 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 33' ' ' ILE . 6.6 tp -48.25 105.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.929 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -93.31 85.32 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 63' ' ' LEU . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.882 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.462 -0.255 . . . . 64.5 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.36 177.93 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 72.45 111.083 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.4 mtt -64.04 129.14 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 63.3 110.885 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.19 -169.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 64.33 111.07 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -89.38 -31.63 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.831 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.86 33.44 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 61.21 111.088 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -33.0 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.883 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.45 -23.14 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.11 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.07 0.77 39.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.4 mm -76.5 -29.1 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 63.3 111.1 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -154.47 126.58 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -43.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.13 110.868 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.76 -41.88 82.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.981 HD12 HD13 ' A' ' 63' ' ' LEU . 32.3 mm -55.54 -22.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 52.11 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpp -47.84 -30.42 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.848 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -55.91 -51.38 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 61.42 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.26 -50.56 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 72.55 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.77 -34.41 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 45.54 110.883 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 23' ' ' THR . 14.4 t80 -56.96 -43.79 81.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.686 HG11 ' CE1' ' A' ' 44' ' ' TYR . 64.2 t -76.0 -40.85 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 61.44 111.078 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.687 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.4 mm -63.54 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.093 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -67.01 -23.4 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.9 p -79.17 -27.68 42.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 61.34 111.146 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mmt -86.04 -48.48 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.904 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.686 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -99.1 157.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.45 111.113 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -102.04 65.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.875 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -53.47 -23.84 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.84 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -49.33 -39.47 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.25 110.856 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.19 -1.97 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -106.73 18.4 21.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.891 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.94 -103.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 53.34 112.441 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 153.11 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 72.5 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -101.45 135.31 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.24 111.153 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.7 mp0 -146.07 139.71 26.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.937 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.9 m -155.77 146.57 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 54.22 111.151 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 80' ' ' VAL . 3.7 p -80.76 155.01 26.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.173 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.65 -49.4 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.904 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.61 -47.45 52.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.525 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -65.79 -51.04 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 73.11 110.903 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.91 -51.45 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.66 -51.26 70.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.936 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -58.56 -18.33 28.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.906 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 47' ' ' ILE . 2.3 tpt180 -94.25 -34.12 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.864 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.686 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.79 -26.32 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.878 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.5 m -56.37 -27.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.2 111.161 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -90.7 10.7 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 70.03 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.417 HD11 HH21 ' A' ' 43' ' ' ARG . 64.0 mt -131.75 -71.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.191 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -33.61 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 65.11 110.861 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.678 ' OD1' HG12 ' A' ' 45' ' ' VAL . 23.3 t0 69.04 63.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.21 110.913 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.83 36.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 40' ' ' LEU . 4.5 p -54.25 -45.5 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.144 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.452 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.6 t -53.87 -36.05 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.24 111.174 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.35 69.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 63.3 112.505 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 51' ' ' VAL . 11.7 mt -77.06 -32.3 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 74.11 111.124 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -51.81 -31.5 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 44.21 110.874 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.8 mtp -58.72 -33.77 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.91 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -68.33 -51.53 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 54.21 110.883 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -63.45 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.24 111.11 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.19 -27.6 69.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -30.81 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.33 23.69 13.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.839 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 65.75 3.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 72.51 112.503 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.06 -18.23 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 70.53 110.894 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 63' ' ' LEU . 3.8 m -112.97 116.74 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.2 111.121 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.569 ' HB2' HD11 ' A' ' 84' ' ' LEU . 5.1 t-160 -82.12 0.29 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.04 110.89 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.16 161.27 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -54.65 175.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 63.03 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.37 52.08 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.52 112.507 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -152.0 33.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.907 0.385 . . . . 74.24 110.876 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.694 ' O ' HD23 ' A' ' 71' ' ' LEU . 40.6 mmm 63.37 161.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 71.53 110.852 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 79' ' ' VAL . 8.0 mt -125.84 121.85 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.918 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -93.07 121.51 34.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.865 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.95 125.16 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.957 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.52 -9.98 74.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 41.34 112.505 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -122.18 -55.06 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.323 . . . . 74.15 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.4 m-20 -92.19 14.24 16.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.893 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.58 -26.23 61.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -67.46 -21.57 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.865 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.79 HG21 HD22 ' A' ' 71' ' ' LEU . 90.9 t -55.57 114.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 61.03 111.113 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 36' ' ' THR . 88.8 t -93.31 120.13 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.24 111.127 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.84 109.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.135 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.69 111.86 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.2 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 33' ' ' ILE . 5.7 tp -49.1 105.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.916 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.59 85.62 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 64.4 110.897 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.939 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 30.44 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.49 -45.92 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 63.33 111.07 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -178.53 156.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.04 110.897 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.3 -169.91 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 74.43 111.102 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -90.31 -30.54 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.78 32.53 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 71.53 111.12 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -32.71 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -22.64 50.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.35 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -81.43 0.11 39.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 11' ' ' TYR . 40.4 mm -75.59 -46.06 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.113 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.458 ' CD2' HG22 ' A' ' 10' ' ' ILE . 34.1 m-85 -137.95 126.05 22.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 55.14 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -45.25 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.71 -39.11 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 62.23 110.866 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.798 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.4 mm -57.25 -22.58 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 70.43 111.14 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -50.99 -26.09 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.11 110.909 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.83 -54.6 40.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 73.55 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -47.37 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.926 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -47.57 -38.07 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.844 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 23' ' ' THR . 44.0 t80 -53.9 -42.89 69.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.8 t -75.99 -41.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 55.02 111.088 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.664 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.6 mm -62.82 -29.94 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.171 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -76.35 -22.83 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.13 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.94 -48.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.896 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -97.14 151.49 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.097 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -96.83 65.47 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.87 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -53.41 -23.88 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -49.36 -39.33 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.852 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.17 -2.03 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.71 17.22 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.865 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.96 -103.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 41.31 112.499 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -71.2 153.09 42.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 74.42 110.936 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.68 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -101.34 136.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.132 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.2 mp0 -146.79 139.45 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.884 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.8 m -156.07 151.08 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.01 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 80' ' ' VAL . 18.7 p -85.27 155.55 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 60.44 111.143 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -49.26 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.912 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.85 -47.25 53.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 62.04 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.93 -51.34 59.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 73.5 110.817 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.93 -50.31 66.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 52.24 110.929 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.8 t80 -59.44 -51.43 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.13 -18.61 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.25 110.851 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -93.96 -34.69 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.889 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.68 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.75 -26.59 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 65.22 110.906 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.3 m -56.2 -27.9 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.118 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -90.39 10.93 23.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.879 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.87 -71.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.146 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -126.22 -33.5 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.817 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.9 t0 68.89 65.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.862 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.98 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 63.22 110.897 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.626 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.88 -45.79 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.1 t -54.69 -35.31 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 33.02 111.13 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -32.39 65.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 63.11 112.521 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -76.92 -34.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 73.12 111.111 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 HG11 ' A' ' 64' ' ' VAL . 42.8 mt -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.28 -32.49 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 51.42 110.923 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -74.33 -50.76 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.14 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.57 -31.99 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 52.41 111.068 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.02 -27.84 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.5 110.896 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.9 -33.5 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -114.06 32.67 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 62.2 110.854 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 68.13 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.463 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.04 -26.87 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.34 110.934 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.753 HG11 HD22 ' A' ' 55' ' ' LEU . 7.9 m -114.19 119.93 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 52.22 111.139 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.673 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -85.38 -0.1 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 52.4 110.862 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.84 161.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.924 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.75 160.81 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.899 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.4 160.21 35.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 45.21 112.489 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.67 -16.83 55.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 53.34 110.904 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.679 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.9 ptp -165.36 169.33 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 64.43 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 79' ' ' VAL . 18.6 mt -127.61 121.94 31.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.932 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.83 126.31 37.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.26 130.49 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.903 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.32 -1.99 83.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 63.33 112.513 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -122.15 -54.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 72.01 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -98.63 14.44 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.32 110.837 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.6 -26.4 55.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 44.52 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -70.63 -21.08 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.751 HG21 HD22 ' A' ' 71' ' ' LEU . 97.6 t -55.64 114.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.128 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 36' ' ' THR . 77.6 t -90.24 122.75 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.22 111.12 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.14 109.55 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.125 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.566 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -104.02 111.69 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 65.51 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.615 HD22 HD12 ' A' ' 33' ' ' ILE . 6.1 tp -49.18 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.8 mt -95.31 85.2 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 61.12 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.03 110.877 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.48 -0.248 . . . . 52.31 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.93 -175.85 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 62.04 111.12 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.2 mtm -57.69 -26.14 61.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.86 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.47 -169.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -91.0 -34.91 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.02 110.848 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.77 35.21 14.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 64.31 111.082 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -33.23 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.883 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -77.44 -25.43 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.4 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -77.38 -4.3 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.847 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 11' ' ' TYR . 41.2 mm -71.13 -41.59 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.02 111.11 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CD2' HG22 ' A' ' 10' ' ' ILE . 39.0 m-85 -139.48 126.69 21.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 71.44 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -44.85 71.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 75.54 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.93 -39.46 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 61.45 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.987 HD12 HD13 ' A' ' 63' ' ' LEU . 27.3 mm -56.36 -22.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 53.25 111.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.6 mtp -48.0 -30.25 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.845 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.69 -51.17 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.87 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -50.24 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.897 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -48.14 -33.33 8.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.864 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 23' ' ' THR . 14.3 t80 -59.03 -42.39 90.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.899 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.7 t -77.32 -34.05 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 65.25 111.147 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.673 ' CD1' HD21 ' A' ' 40' ' ' LEU . 31.7 mm -69.94 -36.55 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 35.45 111.142 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -20.34 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.45 110.865 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.2 p -79.52 -30.26 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.51 111.162 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -53.21 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 65.05 110.873 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.697 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -93.17 152.93 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 61.3 111.083 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.79 62.33 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.887 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -53.65 -23.93 12.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -38.75 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.819 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -127.09 -2.29 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.901 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.71 16.53 24.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 75.32 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.13 -103.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 73.31 112.443 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -68.07 153.2 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 71.44 110.868 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.697 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -106.3 136.68 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.02 111.119 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.2 mp0 -146.64 139.66 25.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 75.31 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.6 m -156.45 148.5 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 52.01 111.138 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 80' ' ' VAL . 15.8 p -82.25 156.57 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -53.32 -48.73 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 74.23 110.844 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.4 -47.72 50.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 62.14 112.459 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.61 -51.11 62.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 75.31 110.867 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.3 mt -53.79 -52.23 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 72.33 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.774 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.1 -51.32 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.875 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.9 -18.83 25.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.871 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -94.2 -34.38 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.883 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.76 -26.3 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.908 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.774 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.1 m -56.28 -27.71 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.55 111.076 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -90.65 11.0 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.896 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.1 mt -132.0 -71.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 53.12 111.13 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.59 -33.62 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.03 110.887 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 68.79 64.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 62.13 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 65.43 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.95 -45.64 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.44 111.096 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.8 t -53.92 -36.04 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.093 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.16 -32.21 65.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 52.25 112.478 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -33.6 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 72.35 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG11 ' A' ' 64' ' ' VAL . 54.1 mt -51.72 -32.67 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.95 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 mtp -56.71 -33.05 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.41 110.928 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -70.17 -46.86 63.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.845 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.84 -30.51 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.098 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.13 -27.59 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -52.58 -29.81 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 71.33 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -113.99 23.75 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.01 110.851 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.92 66.35 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 71.41 112.484 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 14' ' ' ILE . 1.5 tt -114.01 -17.59 11.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 72.21 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 63' ' ' LEU . 3.4 m -112.61 116.7 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.33 111.076 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -83.25 1.62 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.9 161.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.58 158.95 20.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.42 110.886 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.72 160.78 30.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.472 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.22 -16.1 55.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 64.24 110.929 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.734 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -162.54 169.08 20.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.936 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 79' ' ' VAL . 16.0 mt -128.11 121.9 30.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 61.22 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -93.9 127.21 39.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 70.3 110.952 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -52.73 130.11 31.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 53.35 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.61 -2.12 83.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 74.13 112.483 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -122.12 -55.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 70.1 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -97.79 14.44 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.865 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -26.35 53.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 70.01 110.835 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.03 110.817 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 71' ' ' LEU . 98.6 t -55.59 114.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.125 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 36' ' ' THR . 90.0 t -92.16 115.66 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 62.51 111.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.13 109.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.53 111.152 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.98 111.69 24.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.55 111.097 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 6.0 tp -48.59 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 61.34 110.897 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 57.7 mt -92.83 85.87 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 63.4 110.908 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 71.51 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.39 174.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 73.44 111.094 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.3 mtt 57.9 50.37 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 64.11 110.871 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.08 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 64.42 111.096 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -88.96 -36.92 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.882 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.67 34.15 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 62.12 111.109 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -55.75 -31.21 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.908 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -22.99 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.856 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.32 0.65 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.684 HG22 ' CD2' ' A' ' 11' ' ' TYR . 37.4 mm -79.97 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 65.53 111.129 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.684 ' CD2' HG22 ' A' ' 10' ' ' ILE . 50.2 m-85 -132.73 120.7 22.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.955 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -68.94 -43.85 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.67 -35.7 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 64.53 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.829 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.1 mm -57.05 -19.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.21 111.136 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -25.31 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.913 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -55.07 -57.62 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.905 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -46.06 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.951 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.0 t -47.96 -39.03 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' THR . 18.3 t80 -53.9 -41.86 68.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 64.4 110.83 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.664 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 94.3 t -76.09 -37.48 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.181 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.611 ' CD1' HD21 ' A' ' 40' ' ' LEU . 24.9 mm -65.42 -35.37 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.42 111.155 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -64.93 -28.51 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.878 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.7 p -70.83 -37.84 73.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.111 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.8 mmm -75.57 -57.68 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 74.11 110.85 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -78.19 142.93 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 62.13 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -113.75 -75.86 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -26.8 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.881 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 7.1 mmt85 -54.87 -26.29 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.833 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.03 -27.08 7.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 71.52 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -61.12 -32.13 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.05 -120.59 0.94 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 72.13 112.517 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.78 153.29 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 74.12 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.611 HG21 HG22 ' A' ' 21' ' ' ILE . 2.5 mt -112.3 146.81 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.146 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.97 140.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.01 110.86 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 21' ' ' ILE . 4.9 m -153.48 150.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 41.1 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 80' ' ' VAL . 15.0 p -82.56 158.07 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 71.34 111.132 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -55.97 -50.33 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.864 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.91 -48.1 46.12 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 74.23 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.92 -51.04 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 75.21 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.93 -53.71 48.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.917 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.769 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.0 t80 -57.05 -50.17 73.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.886 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -57.91 -18.32 22.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.894 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -95.34 -34.27 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.87 -24.97 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.871 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.22 -27.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.24 111.115 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -89.75 10.75 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 62.42 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.8 mt -131.83 -71.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -32.33 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 61.23 110.876 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.6 t0 68.42 60.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 63.22 110.85 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 40.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.51 -45.11 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.173 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' N ' HG13 ' A' ' 51' ' ' VAL . 74.5 t -53.58 -42.23 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.15 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 -31.09 78.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 63.44 112.451 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 51' ' ' VAL . 6.5 mt -76.59 -34.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 73.25 111.16 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.932 HD22 HG11 ' A' ' 64' ' ' VAL . 49.6 mt -52.0 -30.97 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.891 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.01 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -76.98 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 70.12 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.97 -30.34 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.105 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 64' ' ' VAL . 33.3 ttp85 -65.73 -27.78 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.851 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.87 -32.26 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -114.1 32.17 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.15 110.858 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 66.79 2.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 53.11 112.461 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.829 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.03 -25.35 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 65.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 55' ' ' LEU . 15.6 m -118.03 117.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.3 111.134 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.648 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -83.95 2.57 38.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.897 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 161.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -55.15 176.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.913 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.09 54.93 0.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 62.3 112.505 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -151.83 33.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 65.52 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.748 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.6 mtt 63.0 162.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 74.24 110.905 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 79' ' ' VAL . 11.6 mt -127.7 121.8 31.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 64.31 110.915 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -91.28 121.13 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.913 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 127.69 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 62.04 110.908 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -7.74 81.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.477 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -122.28 -54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 71.23 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 79' ' ' VAL . 4.2 m-20 -93.23 14.39 18.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.867 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.12 -26.12 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -68.5 -20.77 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.866 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 HD22 ' A' ' 71' ' ' LEU . 78.6 t -55.48 114.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.35 111.125 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.503 HG22 HG22 ' A' ' 36' ' ' THR . 70.5 t -93.55 114.87 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 62.22 111.091 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.66 109.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -102.8 111.51 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.02 111.142 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 63' ' ' LEU . 7.5 tp -49.39 105.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.866 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 65' ' ' HIS . 26.9 mt -95.36 85.58 4.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.934 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.925 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 64.25 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.72 -58.97 2.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 62.2 111.125 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -165.5 75.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.43 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.59 -169.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.23 111.087 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -90.96 -42.35 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.855 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.65 44.3 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 72.5 111.073 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -59.09 -33.79 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -77.32 -22.42 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.05 110.894 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -81.2 0.62 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.03 110.861 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 85' ' ' GLU . 49.1 mt -85.77 -59.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.45 111.145 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -119.25 120.01 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 71.33 110.934 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -40.85 78.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 72.54 110.898 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.13 -38.89 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 54.05 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.1 mm -58.89 -22.13 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.132 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.4 mtt -52.97 -25.19 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 54.22 110.843 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.39 -53.42 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 72.33 110.925 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -46.84 12.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.925 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.22 -36.0 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.881 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 38.4 t80 -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.33 110.944 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' CE1' ' A' ' 44' ' ' TYR . 86.3 t -76.8 -32.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 73.22 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.614 HD12 HG21 ' A' ' 35' ' ' VAL . 25.9 mm -71.48 -35.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 70.12 111.139 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -65.61 -19.61 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.892 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.3 p -79.06 -24.78 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.22 111.141 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -91.11 -54.78 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB1' ' HG3' ' A' ' 28' ' ' ARG . . . -76.5 146.81 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -117.8 -76.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.863 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -57.28 -25.08 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.562 ' HG3' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mtt85 -63.82 -25.83 68.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -50.97 -27.94 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.867 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -32.23 71.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.891 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.63 -125.28 1.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 60.34 112.491 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -77.97 134.41 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 73.21 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt -92.16 146.88 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 72.02 111.131 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.51 139.86 24.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.86 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 21' ' ' ILE . 15.4 m -152.87 151.22 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.32 111.097 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.585 HG22 HG22 ' A' ' 80' ' ' VAL . 32.1 p -84.95 154.53 22.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 63.43 111.123 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -53.3 -47.47 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.89 -47.01 54.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 54.25 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -67.01 -51.16 58.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 72.5 110.864 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.74 -50.02 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.947 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.7 t80 -60.51 -51.53 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.902 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.34 -18.34 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.876 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -93.3 -34.99 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.833 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.704 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.69 -27.4 45.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.945 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.2 m -56.23 -28.0 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 64.12 111.109 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -90.28 10.88 23.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.05 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mt -131.97 -71.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.05 111.128 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -126.92 -33.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 34.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 9.5 t0 69.11 67.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 41.43 110.857 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.72 34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 61.24 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.588 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.0 p -53.87 -46.09 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 73.04 111.106 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.7 t -54.34 -34.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.23 111.147 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -33.4 65.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 14.44 112.505 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -77.0 -33.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.42 111.123 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -51.6 -31.79 26.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 64.25 110.885 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtt -60.59 -38.03 83.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.8 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.892 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -63.73 -29.2 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.21 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -27.8 69.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.859 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -51.83 -32.81 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -114.11 32.7 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.21 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.71 66.55 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 41.14 112.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.0 -23.75 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 71.23 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 55' ' ' LEU . 19.7 m -115.28 118.66 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.105 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.681 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -90.66 9.73 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.856 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.74 161.18 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -64.19 -173.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.17 -169.53 24.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 64.42 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 61.85 25.87 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 71.54 110.891 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.747 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.6 mtm 60.44 -174.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.9 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 70' ' ' MET . 27.7 mt -131.19 123.67 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.906 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -94.23 134.32 36.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 60.4 110.905 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.77 124.86 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.4 85.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 51.54 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -122.04 -36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 64.41 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.2 m-20 -119.24 14.34 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 65.31 110.843 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.38 -26.27 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 63.13 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -74.33 -19.14 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.709 HG21 HD22 ' A' ' 71' ' ' LEU . 97.7 t -55.57 114.6 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 72.1 111.117 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 36' ' ' THR . 76.2 t -89.72 113.28 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 62.12 111.123 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.07 108.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.081 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -100.29 112.16 24.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 63.22 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.07 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -89.85 85.56 6.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.958 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.458 -0.257 . . . . 64.23 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.94 -58.36 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 60.21 111.119 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -165.15 -178.14 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.44 -169.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.23 111.135 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -91.61 -49.94 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.46 56.46 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 63.02 111.088 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -30.26 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.874 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.15 57.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.9 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.704 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.7 m-70 -77.92 -3.93 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.25 110.874 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -84.61 -58.98 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.01 111.16 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -118.79 118.69 32.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.72 -40.56 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.823 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.85 -42.45 84.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 64.23 110.858 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.959 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -56.22 -22.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.22 111.109 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ttm -48.52 -29.1 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.895 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.7 -51.3 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 55.24 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -50.77 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 44.43 110.931 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.12 -37.89 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.909 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' THR . 19.2 t80 -54.16 -43.33 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.854 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 71.7 t -76.04 -40.08 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.113 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.1 mm -63.65 -29.89 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.33 111.097 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -25.05 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 70.42 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -73.61 -44.65 56.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 65.22 111.161 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.4 mmm -76.26 -57.35 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.859 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -96.98 121.75 39.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.22 111.127 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.94 8.72 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.855 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.87 -22.58 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 65.52 110.868 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.634 ' HG3' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -50.43 -31.51 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.902 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.62 84.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.874 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.96 -32.38 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 64.43 110.872 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 166.9 -113.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 72.44 112.429 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -73.99 153.59 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 74.34 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' CG2' HG22 ' A' ' 21' ' ' ILE . 8.3 mt -105.76 152.15 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.151 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . 29.3 mp0 -150.25 139.86 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 61.53 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 25' ' ' ALA . 3.4 m -155.22 152.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 65.31 111.153 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 80' ' ' VAL . 19.2 p -85.18 153.85 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 63.54 111.201 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.77 -49.37 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 64.33 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.67 -47.22 52.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 70.22 112.47 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.43 -51.03 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.14 110.934 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -53.89 -50.34 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.933 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.807 ' O ' HG13 ' A' ' 45' ' ' VAL . 33.1 t80 -59.89 -52.11 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.9 t70 -58.09 -17.54 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 51.32 110.881 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -93.07 -35.49 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.893 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -79.12 -25.56 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.914 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 41' ' ' PHE . 27.8 m -56.14 -28.24 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 64.04 111.13 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.57 10.17 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mt -131.66 -71.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -30.37 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.853 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' HG12 ' A' ' 45' ' ' VAL . 13.6 t0 68.22 60.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 65.41 110.911 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.881 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.1 p -52.94 -45.99 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.23 111.149 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 55' ' ' LEU . 55.2 t -54.88 -43.52 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 51.31 111.108 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.49 82.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 63.34 112.454 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 4.9 mt -77.0 -35.47 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.22 111.146 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.1 mt -51.66 -30.94 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.878 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -39.56 72.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -63.49 -49.02 75.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.971 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.96 -30.48 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.22 111.122 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -27.31 68.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -52.47 -29.69 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 62.34 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -114.03 24.4 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.854 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.63 65.79 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 73.13 112.474 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.971 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.03 -18.19 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 72.32 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 55' ' ' LEU . 4.7 m -109.21 119.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.43 111.12 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.667 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -87.86 7.81 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.893 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.85 161.19 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 64.44 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.68 -173.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.895 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.04 -175.73 24.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 55.45 112.461 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.24 35.66 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.382 . . . . 64.31 110.92 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.751 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.2 mmt 55.2 -175.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.771 HD22 HG21 ' A' ' 79' ' ' VAL . 16.6 mt -129.43 121.94 28.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 52.23 110.909 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -91.69 123.75 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.948 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 124.0 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 62.1 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.51 -17.36 53.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 53.31 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -122.17 -49.25 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 74.55 110.878 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.49 14.28 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 64.33 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.45 -26.38 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -71.62 -18.61 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.771 HG21 HD22 ' A' ' 71' ' ' LEU . 96.0 t -55.65 114.82 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.23 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 36' ' ' THR . 80.4 t -91.25 112.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 50.54 111.171 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.21 109.33 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.4 111.115 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -103.85 113.09 26.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.42 111.158 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 tp -47.35 105.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD11 ' CG ' ' A' ' 65' ' ' HIS . 25.1 mt -96.48 95.0 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.866 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 62.32 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.18 134.94 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 72.35 111.121 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 mtt 58.05 33.84 23.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.34 -169.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 63.12 111.061 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -90.25 -38.38 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.875 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.36 36.0 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 54.02 111.146 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -54.96 -33.67 62.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.913 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.09 -22.66 52.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 64.04 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.74 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 22.4 m170 -82.36 2.53 31.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 74.22 110.857 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.4 -37.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 71.53 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -137.24 118.57 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.18 75.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.56 -42.46 87.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.877 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.804 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.6 mm -57.43 -20.55 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.23 111.127 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -25.95 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 65.23 110.86 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.01 -54.77 38.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.9 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -46.43 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -47.8 -38.45 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 15.9 t80 -53.77 -42.2 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 74.2 t -75.87 -40.68 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.24 111.108 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.64 HG22 ' CG2' ' A' ' 33' ' ' ILE . 26.6 mm -62.7 -31.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -68.74 -24.28 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.905 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.2 p -74.06 -24.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 65.21 111.16 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.43 ' HB2' HG11 ' A' ' 35' ' ' VAL . 89.6 mmm -94.12 -52.54 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 70.2 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -91.67 158.17 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 54.35 111.082 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -103.92 64.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -23.85 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.846 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.21 -39.61 30.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.12 110.845 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -127.27 -1.91 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.845 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -106.82 18.49 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.859 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.85 -103.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 55.5 112.459 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -71.97 153.26 41.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 62.13 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -102.34 136.9 32.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 70.34 111.1 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -147.57 139.35 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 24' ' ' MET . 5.8 m -154.72 151.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 64.43 111.12 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 p -84.04 154.35 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.5 111.107 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.78 -48.96 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.11 110.911 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.14 -46.66 56.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 54.54 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.44 -51.4 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 62.51 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.0 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.927 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.8 t80 -60.03 -51.54 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.897 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.34 -18.35 26.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.01 110.863 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.26 -34.63 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.79 -26.13 44.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.942 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.9 m -56.26 -27.78 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 72.44 111.136 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -90.3 10.78 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mt -131.86 -71.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 65.12 111.159 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.27 -33.53 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.861 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.693 ' OD1' HG12 ' A' ' 45' ' ' VAL . 30.3 t0 68.99 63.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.12 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.23 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.5 -45.82 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.151 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 77.5 t -55.3 -35.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 53.02 111.165 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.89 66.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 72.35 112.481 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.74 -35.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 75.04 111.132 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD22 HG11 ' A' ' 64' ' ' VAL . 46.8 mt -51.7 -30.95 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.924 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.27 -33.84 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.883 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -74.61 -44.39 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.838 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -66.14 -32.58 74.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.069 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -64.88 -27.81 69.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 64.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -51.82 -33.54 36.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 62.14 110.907 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -114.06 32.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.3 110.858 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.21 2.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.735 . . . . 73.13 112.485 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -114.03 -23.92 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.13 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 55' ' ' LEU . 12.4 m -114.67 121.02 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.144 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -88.95 -4.6 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.74 161.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.03 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.01 161.13 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.917 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.13 159.71 34.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 60.52 112.509 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.73 -16.12 49.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 72.33 110.915 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.605 ' C ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -170.31 160.47 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 64.22 110.872 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.806 HD22 HG21 ' A' ' 79' ' ' VAL . 4.9 mt -119.07 121.95 41.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.923 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -91.5 121.4 33.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 74.03 110.906 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 125.34 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.938 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.96 -9.26 77.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -122.27 -55.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 71.53 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 79' ' ' VAL . 21.9 m-20 -93.03 14.42 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -56.26 -26.24 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -68.08 -19.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.2 110.85 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.806 HG21 HD22 ' A' ' 71' ' ' LEU . 74.0 t -55.58 115.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.123 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -92.67 116.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 72.02 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.43 109.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.52 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CD1' ' A' ' 84' ' ' LEU . 2.5 t -105.43 113.4 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 64.41 111.129 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 33' ' ' ILE . 5.2 tp -51.91 104.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 41.45 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HG23 ' A' ' 82' ' ' THR . 4.9 mp -93.95 84.76 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 63.11 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.4 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.49 -0.244 . . . . 64.25 112.49 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . 68.98 -77.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 70.32 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mtt -140.3 88.46 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.851 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.22 -169.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 44.03 111.075 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -92.22 -46.13 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 72.25 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.65 44.05 29.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.24 111.11 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.601 ' CD ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -55.8 -25.74 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.926 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.12 -26.7 53.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 54.11 110.88 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 8.7 m170 -82.4 1.69 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.846 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' CD2' ' A' ' 11' ' ' TYR . 29.3 mm -75.89 -59.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.13 111.14 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD2' HG22 ' A' ' 10' ' ' ILE . 45.6 m-85 -121.69 125.49 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -68.71 -42.97 76.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.927 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.78 -41.85 87.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.5 mm -57.83 -20.59 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 34.32 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.3 ttp -52.01 -25.26 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.911 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.99 -53.76 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.874 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -47.08 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.919 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.12 15.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' THR . 44.5 t80 -54.7 -41.93 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.683 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.2 t -75.73 -36.78 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.1 111.157 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.648 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.6 mm -66.53 -35.81 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.24 111.153 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -64.91 -27.49 68.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.8 p -72.95 -24.8 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 55.13 111.196 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.664 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.0 mtm -88.57 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.33 110.9 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -77.88 145.38 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.13 111.118 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -116.76 -75.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 72.52 110.886 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -24.02 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.864 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HB1' ' A' ' 25' ' ' ALA . 10.2 mmt180 -65.83 -27.32 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.21 110.91 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -26.79 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.882 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.13 -32.03 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.57 -110.43 0.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 50.04 112.532 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -92.29 142.11 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 71.05 110.856 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.0 mt -100.4 143.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 54.35 111.12 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -148.05 139.97 24.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 63.23 110.905 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.8 m -154.26 150.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 63.33 111.134 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 p -82.46 158.45 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.3 111.114 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.35 -46.77 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.56 49.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 75.5 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.93 -48.45 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 62.2 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -55.06 -48.09 73.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.934 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.779 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.1 t80 -63.07 -52.95 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.849 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -58.33 -18.12 25.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 63.35 110.881 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -94.4 -34.77 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.862 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.683 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.83 -25.98 44.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.43 110.932 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.8 m -56.28 -27.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 62.33 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -89.97 10.75 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.4 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.6 mt -131.8 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.139 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -124.57 -32.99 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 63.21 110.802 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD1' HG12 ' A' ' 45' ' ' VAL . 11.9 t0 68.81 62.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.845 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.19 39.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 60.45 110.836 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.69 -45.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 41.34 111.142 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' N ' HG13 ' A' ' 51' ' ' VAL . 55.6 t -55.64 -35.32 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 72.13 111.1 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.01 -31.52 66.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 73.32 112.456 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.81 -36.2 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.33 111.136 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 64' ' ' VAL . 44.6 mt -51.77 -30.96 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 63.53 110.931 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 52.34 110.867 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -76.33 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.04 -31.14 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.51 111.1 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -66.42 -27.91 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -51.82 -32.98 33.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 54.42 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -114.11 29.49 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.41 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.88 68.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 53.24 112.54 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.37 -27.91 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 61.41 110.87 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.926 HG11 HD22 ' A' ' 55' ' ' LEU . 16.8 m -115.77 120.73 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.32 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -86.25 5.5 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.873 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.19 161.07 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.85 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.57 159.14 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 61.3 110.901 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.16 157.05 27.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 61.42 112.447 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.02 -16.64 56.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 64.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.727 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -162.09 164.94 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.853 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 79' ' ' VAL . 13.1 mt -127.31 121.92 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 54.35 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -90.38 119.58 30.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.927 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.44 128.84 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 63.5 110.932 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 -8.99 78.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 55.04 112.501 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -122.37 -52.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 74.21 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.8 m-20 -94.66 14.16 21.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.86 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.17 -26.1 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 54.15 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -68.16 -20.74 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 71' ' ' LEU . 75.5 t -55.52 114.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 71.12 111.131 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.46 118.31 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 75.44 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.59 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.86 111.92 24.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 62.03 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.601 HD23 ' CD ' ' A' ' 7' ' ' GLU . 5.0 tp -50.03 105.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.885 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.622 HD11 ' CG ' ' A' ' 65' ' ' HIS . 19.4 mt -97.83 89.28 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.914 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.878 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.244 . . . . 53.11 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.68 -170.49 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 61.42 111.065 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.9 mtm -63.24 166.17 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 62.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.04 -169.6 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.046 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -90.55 -35.05 15.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.78 31.2 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -53.01 -38.48 62.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 55.24 110.846 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -77.31 -22.83 51.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 62.32 110.899 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.64 3.15 30.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.877 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.36 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -116.91 121.87 42.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -69.35 -43.71 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 52.22 110.866 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.58 -42.34 87.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.905 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.861 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.7 mm -57.48 -19.99 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 41.54 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.6 ttt -51.27 -25.47 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.857 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.07 -57.5 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 73.51 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -45.77 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.34 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 t -48.03 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.887 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 23' ' ' THR . 47.6 t80 -53.75 -42.4 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.15 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -76.05 -39.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 33' ' ' ILE . 25.9 mm -64.21 -31.43 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.12 111.169 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -68.99 -28.76 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.802 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -69.31 -23.78 63.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.184 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -92.12 -54.18 3.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 63.53 110.847 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.742 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -83.5 167.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.35 111.083 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.875 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -23.77 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.844 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -38.47 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 65.54 110.857 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.28 -0.95 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.44 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -106.5 -11.92 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.95 -80.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 51.51 112.468 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -83.01 153.08 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 64.11 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.34 131.53 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 111.115 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.03 110.902 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 21' ' ' ILE . 6.9 m -154.46 153.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 64.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -87.06 155.46 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.114 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.7 -49.05 63.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.62 -47.23 52.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 60.42 112.443 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.09 -51.13 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 75.32 110.876 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.85 -49.5 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.879 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.766 ' O ' HG13 ' A' ' 45' ' ' VAL . 37.1 t80 -60.16 -52.27 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 62.34 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -19.23 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.83 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -93.25 -34.32 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.695 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.58 -27.5 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.922 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.3 m -56.15 -27.89 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 64.32 111.15 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -90.61 10.93 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.849 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -132.02 -71.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.03 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 -34.01 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.667 ' OD1' HG12 ' A' ' 45' ' ' VAL . 22.9 t0 69.15 64.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.27 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.592 HG21 HD22 ' A' ' 40' ' ' LEU . 4.1 p -53.8 -45.92 62.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 52.12 111.122 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.5 t -54.72 -34.18 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 50.44 111.132 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -33.6 66.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 65.14 112.499 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.99 -33.95 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 75.02 111.174 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.863 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.74 -30.91 24.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.04 110.924 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 mtm -58.75 -34.51 71.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 60.4 110.931 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -73.47 -55.05 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -56.37 -33.62 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.14 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' HG23 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -64.19 -27.78 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.903 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -51.87 -33.41 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.44 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -114.02 32.86 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.01 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.23 67.34 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 72.33 112.495 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.47 -26.44 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 73.14 110.941 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 55' ' ' LEU . 17.0 m -116.94 119.4 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 41.41 111.133 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -86.13 5.37 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 71.14 110.879 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.43 161.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.04 159.08 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.905 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.78 157.52 22.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 72.34 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.65 -17.18 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 74.23 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.72 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -159.81 168.89 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 42.04 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD22 HG21 ' A' ' 79' ' ' VAL . 26.3 mt -130.33 121.85 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -91.09 122.13 33.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -51.89 127.23 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.86 -7.79 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 55.04 112.459 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -122.0 -53.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 75.2 110.9 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 71' ' ' LEU . 3.1 m-20 -96.62 14.28 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.31 110.847 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -59.44 -26.5 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 51.45 110.832 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -69.11 -20.71 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.737 HG21 HD22 ' A' ' 71' ' ' LEU . 94.3 t -55.8 115.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.128 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -90.45 121.89 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.02 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.01 109.25 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.05 111.157 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.627 HG23 HD21 ' A' ' 84' ' ' LEU . 1.8 t -103.6 113.7 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.34 111.177 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 4.6 tp -48.8 105.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.965 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.4 mt -95.94 84.38 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.895 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 44.2 110.867 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 75.14 112.503 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . 68.95 -77.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 44.41 111.105 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -160.0 59.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.03 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.16 -169.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 60.41 111.124 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -91.46 -33.45 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 63.04 110.851 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.73 35.81 16.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.44 111.116 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -32.87 65.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 63.14 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.36 -22.97 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 64.24 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.49 36.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 64.51 110.823 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.609 HG22 ' CD2' ' A' ' 11' ' ' TYR . 45.9 mm -75.0 -43.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 75.04 111.148 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CD2' HG22 ' A' ' 10' ' ' ILE . 38.2 m-85 -143.79 128.62 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -68.72 -42.8 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.22 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -41.55 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 63.52 110.902 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.811 HD12 ' HG ' ' A' ' 63' ' ' LEU . 48.1 mm -58.12 -20.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.11 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.32 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.51 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.98 -54.04 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -47.94 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.865 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.65 -38.07 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 23' ' ' THR . 45.5 t80 -53.89 -42.59 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.927 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.707 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.4 t -75.79 -39.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.31 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 27.1 mm -63.52 -31.23 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 61.41 111.109 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -69.87 -24.27 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.1 p -71.81 -27.1 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.1 111.13 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.713 ' HE3' HG11 ' A' ' 35' ' ' VAL . 48.6 mtm -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.907 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.65 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -85.1 153.69 22.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 44.45 111.113 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -101.94 65.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.878 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -23.88 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.841 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -49.44 -39.0 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 62.52 110.834 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.07 -2.33 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.893 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.68 18.22 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.901 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.89 -103.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 65.14 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -71.76 153.11 42.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.81 0.338 . . . . 74.44 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.65 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -103.01 134.63 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.51 111.106 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 35' ' ' VAL . 21.6 mp0 -146.31 139.33 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 71.24 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.4 m -155.17 151.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.181 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -84.22 154.16 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.1 111.147 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.86 -47.66 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.15 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.59 -47.3 52.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.731 . . . . 42.23 112.474 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.3 -50.69 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 72.52 110.901 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -53.85 -49.26 68.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.982 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.5 t80 -60.66 -52.13 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.916 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -58.35 -18.66 29.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 75.45 110.833 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -93.54 -34.44 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.707 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.89 -26.92 43.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 70.03 110.936 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 31.5 m -56.31 -27.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 53.32 111.131 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -90.49 10.82 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 71.41 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.2 mt -131.99 -71.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 74.41 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -34.03 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 73.01 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.67 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.26 64.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.41 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.4 p -54.21 -45.38 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.114 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' N ' HG13 ' A' ' 51' ' ' VAL . 53.5 t -54.14 -37.53 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 61.33 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.84 -33.12 79.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 72.53 112.515 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.8 mt -76.78 -33.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.1 111.141 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.82 HD22 HG11 ' A' ' 64' ' ' VAL . 46.5 mt -51.59 -30.95 22.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -59.86 -35.33 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -70.65 -55.0 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 62.53 110.88 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.35 -32.36 68.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.113 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -27.61 69.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -51.74 -33.64 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -114.06 33.36 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 62.22 110.883 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.94 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 24.54 112.457 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.811 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.12 -25.94 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 52.23 110.941 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.82 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -118.54 117.37 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 51.51 111.113 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.549 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -85.99 5.14 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.895 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.4 161.2 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 63.33 110.846 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -173.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 70.02 110.873 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.55 -168.63 19.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 61.41 112.48 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 61.73 29.62 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 62.12 110.918 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.706 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.1 mtt 60.03 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 72.21 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 79' ' ' VAL . 35.3 mt -131.21 123.01 27.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.909 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -89.2 125.68 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 121.16 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 72.03 110.903 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.96 56.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 74.3 112.456 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -122.04 -52.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 72.21 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 71' ' ' LEU . 5.3 m-20 -92.19 14.21 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.24 110.892 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.44 -26.54 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 54.41 110.863 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -71.48 -19.18 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 71' ' ' LEU . 98.7 t -55.84 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.02 111.143 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.5 123.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 61.3 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.64 109.55 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.04 111.158 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.66 111.79 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.33 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 33' ' ' ILE . 5.5 tp -49.27 105.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 54.31 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.9 mt -93.47 85.26 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.31 110.957 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 72.3 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.51 -0.236 . . . . 73.44 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.09 -177.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 65.31 111.112 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.81 125.97 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.05 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.98 -169.8 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.094 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -91.11 -42.76 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.73 38.23 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 71.11 111.075 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.617 ' CD ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -56.49 -27.1 56.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 61.33 110.885 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -22.97 51.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.87 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -82.13 1.48 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.21 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.3 mm -79.78 -36.4 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.137 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -142.23 123.45 14.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.928 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -68.63 -44.75 73.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 60.41 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -42.72 87.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.803 HD12 ' HG ' ' A' ' 63' ' ' LEU . 43.4 mm -57.87 -21.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 45.15 111.13 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.64 8.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.882 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.12 -54.13 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 -46.77 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 64.32 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -47.69 -38.14 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' THR . 41.3 t80 -53.74 -43.02 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.914 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.1 t -76.14 -41.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.11 111.15 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.674 HG22 ' CG2' ' A' ' 33' ' ' ILE . 34.0 mm -61.73 -31.13 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.101 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -23.02 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -78.31 -22.01 48.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 41.42 111.128 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.89 -45.8 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.848 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.696 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -100.59 151.19 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 75.01 111.114 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -94.0 64.37 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.854 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -23.9 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -49.42 -39.17 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.843 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.19 -1.86 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 53.52 110.929 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.73 17.36 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.42 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.71 -103.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 72.33 112.46 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -70.7 153.29 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 73.32 110.926 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.696 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -101.98 137.98 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 45.12 111.118 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.8 mp0 -148.16 139.2 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.903 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 21' ' ' ILE . 1.9 m -157.26 150.97 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 70.45 111.09 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 41.1 p -86.52 156.39 20.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 72.34 111.155 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 71' ' ' LEU . 4.9 t80 -51.63 -47.32 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 62.45 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.77 -47.55 52.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 34.01 112.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.99 -50.86 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 73.41 110.894 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.2 mt -53.78 -47.6 70.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.915 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 45' ' ' VAL . 40.3 t80 -61.94 -52.24 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.55 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.73 -18.06 28.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.821 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -93.66 -34.8 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.875 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.81 -26.99 44.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 73.53 110.917 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.26 -28.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 71.31 111.103 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -90.06 10.79 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 65.45 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -131.82 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.119 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.2 -33.86 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 54.23 110.896 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.658 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.18 66.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.857 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.98 -45.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 62.22 111.125 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 71' ' ' LEU . 56.0 t -54.34 -35.77 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.34 111.154 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.12 -31.83 66.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 62.14 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.2 mt -76.86 -35.57 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 54.32 111.174 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -52.18 -35.3 48.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.93 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.96 -28.38 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.836 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -50.85 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -60.82 -32.22 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -27.85 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.888 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -51.84 -33.48 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.955 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -114.04 31.89 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 44.55 110.886 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 66.77 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 61.22 112.547 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.803 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.39 -27.98 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 71.15 110.908 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.783 HG11 HD22 ' A' ' 55' ' ' LEU . 9.3 m -113.44 121.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 61.15 111.144 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.696 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -88.07 7.82 29.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 54.33 110.891 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -54.4 161.05 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.892 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.98 168.51 12.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 71.42 110.923 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.15 -157.93 3.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 54.5 112.488 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.28 24.07 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 62.23 110.925 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -176.69 169.34 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.895 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 52' ' ' VAL . 5.7 mt -137.01 125.13 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.931 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -101.11 122.51 43.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.889 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.41 116.96 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.946 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 -11.4 56.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 74.11 112.501 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -122.11 -55.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 72.23 110.933 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.13 14.14 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.899 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.76 -26.49 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -78.01 -18.31 56.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 54.01 110.85 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 71' ' ' LEU . 88.9 t -55.8 115.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.41 111.1 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.3 t -89.73 121.15 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.41 111.164 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.82 109.39 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.161 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.41 113.02 26.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 70.51 111.136 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.617 HD23 ' CD ' ' A' ' 7' ' ' GLU . 5.2 tp -48.96 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.696 HD11 ' CG ' ' A' ' 65' ' ' HIS . 27.5 mt -96.41 89.38 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.9 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.872 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 74.420000000000002 110.858 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -57.77 -41.87 82.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.983 HD12 HD13 ' A' ' 63' ' ' LEU . 33.8 mm -55.56 -22.03 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.166 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.5 ttp -47.67 -30.42 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.886 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.32 -51.24 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.925 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.37 -49.98 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 t -47.44 -38.74 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 23' ' ' THR . 13.7 t80 -53.74 -42.88 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 75.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 ' CE1' ' A' ' 44' ' ' TYR . 83.3 t -76.36 -41.8 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 65.409999999999997 111.114 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 25.3 mm -60.55 -33.17 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.65 -24.77 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.836 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.8 p -77.21 -43.68 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.019999999999996 111.119 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.854 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 73.409999999999997 111.116 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -149.21 140.44 23.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 21' ' ' ILE . 3.8 m -154.38 149.45 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 111.151 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 7.7 p -83.33 153.88 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 111.175 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.87 -50.71 60.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.14 46.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 50.109999999999999 112.466 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.94 -50.34 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 75.319999999999993 110.933 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.99 -53.75 48.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.349999999999994 110.921 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 23.6 t80 -57.0 -50.95 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 110.864 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -57.78 -18.7 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.450000000000003 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -94.52 -34.47 12.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.624 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.7 -25.95 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.931 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.1 m -56.33 -27.89 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.409999999999997 111.11 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.82 10.71 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -131.79 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 74.040000000000006 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.81 -32.65 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 50.130000000000003 110.886 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.7 t0 68.65 63.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 74.430000000000007 110.861 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.14 38.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 72.140000000000001 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.0 p -53.31 -45.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 75.420000000000002 111.081 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' N ' HG13 ' A' ' 51' ' ' VAL . 61.8 t -55.31 -35.15 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.117 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -32.83 65.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 55.100000000000001 112.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.1 mt -77.08 -32.55 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 72.129999999999995 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 64' ' ' VAL . 46.6 mt -51.78 -31.08 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.549999999999997 110.912 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -34.78 73.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.855 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -67.88 -46.65 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.9 -35.53 80.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 50.210000000000001 111.123 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -58.43 -27.49 64.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -51.97 -30.94 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 65.530000000000001 110.867 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -113.96 24.84 11.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.93 66.18 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 53.299999999999997 112.533 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 14' ' ' ILE . 1.4 tt -114.02 -17.69 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.540000000000006 110.925 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -112.51 116.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 111.174 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -84.41 3.11 37.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.85 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 63.119999999999997 110.885 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 79' ' ' VAL . 12.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.795 0.331 . . . . 72.329999999999998 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -91.19 122.02 33.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.931 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 128.65 24.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 110.945 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.09 -6.53 83.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 20.239999999999998 112.476 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -122.17 -54.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 71.030000000000001 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -94.9 14.6 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 63.530000000000001 110.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.22 -26.17 50.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -20.82 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 63.520000000000003 110.857 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 71' ' ' LEU . 81.0 t -55.51 114.77 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 70.430000000000007 111.12 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 36' ' ' THR . 76.6 t -93.3 112.3 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.420000000000002 111.186 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.59 109.2 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.52 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.349999999999994 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tp -49.18 105.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 70.439999999999998 110.951 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 65' ' ' HIS . 48.6 mt -94.59 93.38 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 71.530000000000001 110.931 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 63' ' ' LEU . 23.9 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 45.520000000000003 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 74.030000000000001 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -68.37 -43.05 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.299999999999997 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.73 -39.91 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 63.109999999999999 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.3 mm -57.7 -22.91 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.239999999999995 111.107 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -52.54 -25.64 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.219999999999999 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -55.46 -52.81 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -47.63 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.049999999999997 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.44 -38.51 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 63.539999999999999 110.866 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.92 -42.05 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 44' ' ' TYR . 73.0 t -75.91 -38.71 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 60.219999999999999 111.147 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 19.7 mm -64.35 -29.88 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.146 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.68 -23.56 61.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.530000000000001 110.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -71.79 -44.09 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 64.010000000000005 111.134 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.901 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.615 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.2 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.757 0.313 . . . . 73.109999999999999 111.148 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -148.99 139.94 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.030000000000001 110.91 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 21' ' ' ILE . 6.4 m -153.75 149.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 111.157 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 80' ' ' VAL . 29.3 p -83.75 153.06 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 65.030000000000001 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.85 -49.28 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 64.439999999999998 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.94 -46.72 55.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 61.32 112.491 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.22 -51.3 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 73.530000000000001 110.906 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.74 -50.83 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 63.130000000000003 110.898 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -59.83 -51.76 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 51.149999999999999 110.838 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.03 -18.36 23.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -94.39 -34.76 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.854 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.66 -25.9 44.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 51.350000000000001 110.939 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.7 m -56.34 -27.74 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 63.109999999999999 111.105 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -90.11 10.75 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.109999999999999 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -131.84 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.75 -33.08 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 110.848 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.703 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.1 t0 68.74 63.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 61.219999999999999 110.874 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.54 -45.63 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 54.409999999999997 111.106 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 71' ' ' LEU . 60.9 t -55.33 -35.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -31.35 66.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 65.129999999999995 112.494 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.77 -35.83 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 75.140000000000001 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD22 HG11 ' A' ' 64' ' ' VAL . 48.4 mt -51.77 -33.74 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.240000000000002 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 mtp -55.09 -30.12 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 110.914 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.41 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.854 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -71.21 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 111.11 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -27.6 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 63.350000000000001 110.845 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -51.55 -33.69 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 64.530000000000001 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -114.07 32.41 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.140000000000001 110.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.7 66.76 2.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 72.150000000000006 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.43 -27.27 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 74.219999999999999 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.652 HG11 HD22 ' A' ' 55' ' ' LEU . 5.2 m -111.54 120.31 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.139 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -85.58 -4.69 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 51.340000000000003 110.879 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 62.329999999999998 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 52' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.819 0.342 . . . . 63.149999999999999 110.9 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -84.39 114.48 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.954 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.07 116.9 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 74.439999999999998 110.915 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -13.14 44.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 72.439999999999998 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -122.13 -53.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 73.5 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.08 14.17 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 60.5 110.882 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.14 -26.46 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -71.38 -19.75 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 71' ' ' LEU . 98.9 t -55.71 114.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 70.310000000000002 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 36' ' ' THR . 69.5 t -89.68 111.34 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 61.520000000000003 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.92 109.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.178 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.559 HG23 HD21 ' A' ' 84' ' ' LEU . 1.5 t -100.43 111.43 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 61.329999999999998 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 8.2 tp -48.35 105.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.939 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 33.7 mt -92.13 85.76 5.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.879 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.219999999999999 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.903 0.383 . . . . 71.230000000000004 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.64 -41.29 79.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.219999999999999 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.62 -41.53 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.96 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -55.53 -22.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.019999999999996 111.166 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -30.26 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.859 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -56.94 -50.31 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 64.430000000000007 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -50.85 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.62 -36.03 10.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.861 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 23' ' ' THR . 45.6 t80 -56.49 -42.81 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.219999999999999 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 44' ' ' TYR . 74.7 t -75.75 -36.92 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.020000000000003 111.115 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.655 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.8 mm -66.9 -35.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.099999999999994 111.145 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -65.58 -28.5 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.8 p -70.8 -36.05 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.155 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.672 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.6 mtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 110.901 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.784 0.326 . . . . 72.209999999999994 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.2 mp0 -148.7 140.39 23.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.915 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.1 m -154.78 150.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.519999999999996 111.107 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 80' ' ' VAL . 24.8 p -82.14 157.96 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 111.135 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.68 -45.97 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.92 -46.59 49.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 45.43 112.474 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.4 -49.21 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 54.350000000000001 110.913 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.655 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.35 -46.65 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.049999999999997 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.784 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.9 t80 -64.44 -53.28 50.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.62 -18.02 26.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 110.833 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 64.049999999999997 110.854 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.92 -26.17 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.219999999999999 110.932 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.5 m -56.32 -27.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.81 10.69 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.866 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -131.78 -71.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 70.510000000000005 111.145 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -124.01 -32.43 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.149999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t0 68.5 62.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.829 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.75 -45.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 71.120000000000005 111.145 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.4 t -55.58 -35.28 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.040000000000006 111.149 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.02 -32.04 66.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 71.030000000000001 112.506 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -34.07 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 51.530000000000001 111.146 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.68 -31.01 24.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 71.299999999999997 110.933 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.2 mtp -57.28 -32.7 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 64.040000000000006 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -70.95 -48.16 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 71.420000000000002 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.954 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.85 -30.87 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.019999999999996 111.121 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -27.67 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.874 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -52.1 -31.26 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 61.210000000000001 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -113.79 23.64 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 74.310000000000002 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.79 67.32 2.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 63.25 112.5 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.96 HD13 HD12 ' A' ' 14' ' ' ILE . 1.3 tt -114.0 -17.26 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 74.239999999999995 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -113.0 116.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 111.122 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.1 t-80 -84.56 3.23 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.229999999999997 110.844 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.010000000000005 110.87 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.71 HD22 HG21 ' A' ' 79' ' ' VAL . 24.2 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.796 0.331 . . . . 75.430000000000007 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -92.81 129.7 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 110.903 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -60.32 119.23 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.69 -13.54 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 45.310000000000002 112.467 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -122.11 -43.93 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 74.109999999999999 110.904 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.82 14.33 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 110.858 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.84 -26.37 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.848 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -73.66 -18.79 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.099999999999994 110.851 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.71 HG21 HD22 ' A' ' 71' ' ' LEU . 93.7 t -55.7 114.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 111.138 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 36' ' ' THR . 79.9 t -91.65 113.22 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 65.239999999999995 111.089 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.61 109.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.340000000000003 111.098 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.93 112.15 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 53.329999999999998 111.152 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.76 105.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.903 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.2 mt -93.71 87.47 5.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.894 0.378 . . . . 71.310000000000002 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.2 79.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 74.239999999999995 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.28 -40.52 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.904 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.842 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.5 mm -57.72 -20.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.200000000000003 111.128 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttt -52.37 -25.4 9.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.019999999999996 110.849 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.85 -54.19 45.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.030000000000001 110.916 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -46.1 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 54.119999999999997 110.887 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -47.9 -38.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 43.520000000000003 110.847 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' THR . 18.7 t80 -53.98 -42.0 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.913 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.5 t -75.88 -37.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 72.019999999999996 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.3 mm -65.49 -34.23 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 111.165 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -27.49 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 65.349999999999994 110.869 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.4 p -72.32 -25.84 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.400000000000006 111.142 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.66 ' HE3' HG11 ' A' ' 35' ' ' VAL . 34.5 mtm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 71.450000000000003 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -149.29 140.25 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 60.32 110.864 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.2 m -153.88 150.76 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 65.140000000000001 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 HG22 ' A' ' 80' ' ' VAL . 24.2 p -83.47 156.35 22.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.109999999999999 111.164 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.34 -46.13 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.874 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.06 50.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 41.439999999999998 112.463 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.57 -50.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 72.310000000000002 110.894 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.7 mt -54.0 -45.81 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 110.929 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.777 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.6 t80 -65.12 -53.07 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -58.96 -17.95 29.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 61.119999999999997 110.88 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -93.49 -34.75 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.439999999999998 110.824 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.82 -27.22 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.914 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.22 -27.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.549999999999997 111.176 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -89.96 10.69 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 72.219999999999999 110.905 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.79 -71.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.47 -34.0 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 55.219999999999999 110.866 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t0 69.25 66.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 73.340000000000003 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.77 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 62.130000000000003 110.92 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -54.02 -45.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.5 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.3 t -53.99 -34.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.019999999999996 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.09 -33.21 65.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 63.109999999999999 112.496 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.0 mt -76.82 -32.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 64.519999999999996 111.14 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HG11 ' A' ' 64' ' ' VAL . 45.9 mt -51.77 -31.16 25.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 74.329999999999998 110.903 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.4 mtt -60.38 -34.42 73.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 61.439999999999998 110.884 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -71.79 -55.02 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.875 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.65 -31.09 67.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -65.24 -27.89 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.843 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -51.89 -33.38 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.877 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -114.01 32.26 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 51.5 110.856 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.61 1.94 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 53.240000000000002 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.842 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -113.99 -24.56 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 72.230000000000004 110.932 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.888 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -120.14 118.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 111.122 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.611 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -88.21 8.24 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 61.119999999999997 110.836 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.049999999999997 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.824 HD22 HG21 ' A' ' 79' ' ' VAL . 32.3 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.808 0.337 . . . . 55.130000000000003 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -92.22 121.33 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.938 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 127.93 22.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.23 -7.68 80.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 51.450000000000003 112.496 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -122.26 -39.39 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 74.430000000000007 110.898 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -113.39 14.15 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 63.200000000000003 110.864 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -56.4 -26.18 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -69.22 -20.66 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.824 HG21 HD22 ' A' ' 71' ' ' LEU . 81.4 t -55.46 114.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 36' ' ' THR . 71.2 t -91.96 116.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.120000000000005 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.84 109.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -102.15 111.6 23.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 62.520000000000003 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.68 105.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.611 HD11 ' CG ' ' A' ' 65' ' ' HIS . 43.0 mt -94.73 85.24 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.109999999999999 110.899 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 54.020000000000003 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.934 0.397 . . . . 73.150000000000006 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -68.69 -42.32 77.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.409999999999997 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.21 -41.18 83.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 61.329999999999998 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 45.3 mm -57.44 -21.62 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 51.149999999999999 111.153 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.67 -25.87 8.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.140000000000001 110.873 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.06 -53.64 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.4 -45.7 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.895 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.72 -38.7 15.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 71.010000000000005 110.896 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' THR . 51.8 t80 -53.75 -42.15 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -75.97 -39.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.7 mm -62.59 -34.49 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -29.09 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.239999999999995 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -70.62 -29.64 66.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.18 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.874 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.718 0.294 . . . . 71.219999999999999 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -147.42 139.78 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.954 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -154.5 151.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 53.049999999999997 111.121 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 40.5 p -84.19 156.28 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.049999999999997 111.119 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.38 -47.99 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.52 -47.44 51.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 70.140000000000001 112.48 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -65.87 -50.86 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 71.209999999999994 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 51' ' ' VAL . 1.1 mt -53.83 -51.58 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.768 ' O ' HG13 ' A' ' 45' ' ' VAL . 29.3 t80 -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 64.040000000000006 110.86 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.91 -18.55 23.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 61.420000000000002 110.91 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -94.47 -34.47 12.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.519999999999996 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.675 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.76 -26.03 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.907 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 41' ' ' PHE . 26.4 m -56.29 -27.91 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 34.310000000000002 111.131 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -90.19 10.93 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.85 -71.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.310000000000002 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 -33.41 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.844 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.1 t0 68.78 64.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 63.149999999999999 110.878 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 60.109999999999999 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.72 -45.69 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 111.096 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' N ' HG13 ' A' ' 51' ' ' VAL . 52.9 t -54.07 -36.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 111.107 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.43 66.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 74.519999999999996 112.446 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.6 mt -76.72 -36.65 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 72.239999999999995 111.109 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 64' ' ' VAL . 46.1 mt -51.79 -30.99 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.872 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.4 mmm -56.77 -32.25 65.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.120000000000005 110.933 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -77.49 -41.09 40.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 110.896 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -69.19 -32.28 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.399999999999999 111.072 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.08 -27.84 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.843 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -51.69 -33.47 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.944 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -114.1 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.349999999999994 110.826 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.28 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 75.120000000000005 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.94 -26.31 8.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 54.43 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.669 HG11 HD22 ' A' ' 55' ' ' LEU . 5.4 m -114.26 117.4 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 60.409999999999997 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.627 ' CG ' HD11 ' A' ' 84' ' ' LEU . 2.1 t-160 -84.51 3.23 37.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.916 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.856 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 79' ' ' VAL . 15.6 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.802 0.334 . . . . 55.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -100.47 128.14 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 110.904 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 122.93 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.09 58.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 60.119999999999997 112.457 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -122.0 -55.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 61.420000000000002 110.925 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' HD22 ' A' ' 71' ' ' LEU . 10.4 m-20 -92.43 14.31 16.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.866 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.22 -26.46 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 60.399999999999999 110.839 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -17.69 59.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 63.200000000000003 110.823 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.724 HG21 HD22 ' A' ' 71' ' ' LEU . 84.9 t -55.68 112.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 111.145 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.4 t -87.52 113.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 62.520000000000003 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.1 108.91 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 63.409999999999997 111.113 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -101.28 112.44 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 70.310000000000002 111.087 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 7.0 tp -48.55 105.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 54.030000000000001 110.945 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.627 HD11 ' CG ' ' A' ' 65' ' ' HIS . 51.9 mt -93.2 85.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 65.510000000000005 110.91 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 65.239999999999995 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -44.13 72.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.97 -38.82 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.857 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.0 mm -58.69 -22.55 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 70.329999999999998 111.104 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.7 mtp -52.6 -25.3 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -54.84 -54.23 45.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 61.049999999999997 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -47.84 10.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 73.420000000000002 110.892 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.28 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 61.530000000000001 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 16.1 t80 -53.98 -42.3 68.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.219999999999999 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.2 t -75.94 -39.96 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 111.11 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 22.4 mm -62.84 -36.67 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.509999999999998 111.134 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.51 -27.65 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.3 p -74.59 -32.32 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 61.229999999999997 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.009999999999998 110.915 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.9 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.847 0.356 . . . . 61.149999999999999 111.11 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -147.72 140.06 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD12 ' A' ' 21' ' ' ILE . 5.5 m -153.89 151.63 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.210000000000001 111.167 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 80' ' ' VAL . 11.3 p -85.72 154.83 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 111.13 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.09 -48.57 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.530000000000001 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.95 -47.21 54.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 74.120000000000005 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.2 -51.26 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 73.010000000000005 110.875 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.430000000000007 110.905 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.794 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.8 t80 -58.93 -52.39 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.409999999999997 110.879 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG22 ' A' ' 45' ' ' VAL . 17.2 t70 -57.07 -19.4 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.95 -33.94 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.697 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -79.03 -26.17 43.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.549999999999997 110.9 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.794 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.0 m -56.16 -28.19 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.430000000000007 111.167 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -90.18 11.08 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 71.340000000000003 110.851 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -131.91 -71.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.138 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -126.82 -33.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.854 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.559 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.5 t0 68.91 64.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.86 36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.030000000000001 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.2 p -53.9 -45.55 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 44.219999999999999 111.111 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.0 t -53.69 -39.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 54.219999999999999 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.38 -33.21 84.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 52.039999999999999 112.491 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.6 mt -76.94 -33.96 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 71.310000000000002 111.161 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 HG11 ' A' ' 64' ' ' VAL . 44.8 mt -51.89 -30.98 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 70.310000000000002 110.914 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.0 mtm -59.5 -34.02 72.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.54 -55.09 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.329999999999998 111.112 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -64.48 -27.69 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -51.73 -33.46 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 64.209999999999994 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -114.09 33.24 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.825 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.83 67.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 60.420000000000002 112.467 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.857 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.02 -26.98 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 71.349999999999994 110.951 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 55' ' ' LEU . 16.3 m -117.71 119.16 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 74.049999999999997 111.121 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -87.19 7.28 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 70.120000000000005 110.852 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 79' ' ' VAL . 38.0 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.34 . . . . 74.540000000000006 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -91.32 125.1 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 120.95 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.049999999999997 110.915 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.98 -15.75 47.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 73.439999999999998 112.462 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -122.13 -49.77 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 72.109999999999999 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.43 14.25 21.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 72.310000000000002 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.56 -26.35 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -71.9 -18.66 62.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.409999999999997 110.857 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.758 HG21 HD22 ' A' ' 71' ' ' LEU . 96.1 t -55.71 114.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 36' ' ' THR . 74.5 t -90.86 117.43 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 55.340000000000003 111.176 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.05 109.37 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.168 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.71 112.49 25.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.329999999999998 111.13 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.39 105.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 64.430000000000007 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.9 mt -93.32 85.63 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.95 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HG2' HD23 ' A' ' 63' ' ' LEU . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.932 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.835 0.35 . . . . 75.140000000000001 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -69.19 -43.47 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.54 -39.0 78.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.972 HD12 HD13 ' A' ' 63' ' ' LEU . 27.8 mm -56.0 -21.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 64.239999999999995 111.138 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptm -47.8 -30.07 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.876 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.16 -50.84 70.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.43 -50.39 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 65.430000000000007 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.2 t -47.61 -37.04 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.140000000000001 110.912 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 16.7 t80 -55.42 -42.57 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 70.409999999999997 110.862 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 44' ' ' TYR . 82.9 t -75.87 -36.77 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 55.340000000000003 111.153 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 33.9 mm -66.47 -34.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.319999999999993 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -65.97 -29.12 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.2 p -69.49 -34.15 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 111.173 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.652 ' HE3' HG11 ' A' ' 35' ' ' VAL . 31.7 mtm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 71.230000000000004 111.166 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -145.84 140.4 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 71.219999999999999 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.3 m -154.66 151.06 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 HG22 ' A' ' 80' ' ' VAL . 11.7 p -82.92 159.08 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 44.439999999999998 111.116 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.23 -45.71 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.399999999999999 110.88 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.96 -45.98 50.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 75.400000000000006 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.47 -49.13 57.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 63.200000000000003 110.861 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -54.87 -43.72 73.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.010000000000005 110.901 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.782 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.7 t80 -66.99 -53.06 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.299999999999997 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -59.2 -17.05 24.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.892 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -94.25 -35.62 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 110.859 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.95 -26.08 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.230000000000004 110.89 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.25 -27.89 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 71.200000000000003 111.146 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -89.67 10.69 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.76 -71.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.200000000000003 111.096 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.36 -32.54 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t0 68.54 62.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.14 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.340000000000003 110.881 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.43 -45.49 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' VAL . 54.7 t -55.47 -35.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.230000000000004 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -31.82 66.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 50.140000000000001 112.493 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.93 -34.07 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 70.299999999999997 111.141 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 HG11 ' A' ' 64' ' ' VAL . 45.4 mt -51.74 -32.55 31.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 71.430000000000007 110.872 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.2 mtt -55.63 -31.21 62.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 110.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -73.49 -48.22 35.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 61.32 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.981 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.75 -29.73 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.5 111.135 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -64.72 -27.84 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 61.240000000000002 110.876 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -52.01 -35.5 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -108.06 23.47 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.95 66.96 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 45.409999999999997 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.981 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.5 tt -114.02 -17.03 12.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 63.219999999999999 110.865 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 55' ' ' LEU . 3.7 m -112.84 116.79 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 111.099 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.6 t-160 -83.69 2.08 39.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.852 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.883 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 79' ' ' VAL . 15.7 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 75.129999999999995 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -96.15 130.47 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.150000000000006 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.9 123.58 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.25 110.893 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.78 -3.14 87.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 62.240000000000002 112.535 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -122.22 -37.07 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 74.430000000000007 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m-20 -117.44 14.49 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.68 -26.24 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.319999999999993 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -72.17 -20.89 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.861 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 71' ' ' LEU . 94.0 t -55.6 112.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.096 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 36' ' ' THR . 77.2 t -90.1 111.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.4 109.17 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 72.340000000000003 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.96 111.71 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 111.096 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.58 105.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.019999999999996 110.953 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.2 88.69 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 65.129999999999995 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 62.149999999999999 110.88 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.88 0.372 . . . . 72.409999999999997 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -68.5 -43.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.049999999999997 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -57.15 -39.67 75.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 54.420000000000002 110.911 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.1 mm -58.49 -25.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.200000000000003 111.171 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.9 mtp -53.13 -25.09 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 60.140000000000001 110.873 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -54.74 -53.36 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.876 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.23 -45.3 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.010000000000005 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.93 -38.61 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 62.009999999999998 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 23' ' ' THR . 49.7 t80 -54.15 -42.08 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.129999999999995 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.8 t -75.85 -36.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.409999999999997 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.634 ' CD1' HD21 ' A' ' 40' ' ' LEU . 25.4 mm -66.27 -35.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.540000000000006 111.096 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -27.13 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 63.030000000000001 110.871 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.9 p -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 75.209999999999994 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.657 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.9 mtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.855 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 72.409999999999997 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.68 140.2 24.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 70.030000000000001 110.915 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.0 m -153.93 151.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 50.030000000000001 111.084 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 80' ' ' VAL . 22.7 p -82.98 156.52 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.127 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.48 -46.18 80.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.99 -46.45 50.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 60.299999999999997 112.483 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.4 -49.19 61.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.29 -46.86 72.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 110.848 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.0 t80 -64.32 -53.29 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 70.109999999999999 110.917 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.53 -17.96 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 73.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -94.13 -35.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.844 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.669 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.81 -26.27 44.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.340000000000003 110.928 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.7 m -56.28 -27.81 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 71.329999999999998 111.124 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -89.7 10.66 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mt -131.76 -71.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.866 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.9 t0 68.52 62.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.861 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.299999999999997 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.57 -45.49 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 72.5 111.137 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.3 t -55.63 -35.44 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 55.030000000000001 111.158 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.99 -31.34 66.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.735 -0.745 . . . . 51.310000000000002 112.514 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.78 -36.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 74.25 111.117 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.883 HD22 HG11 ' A' ' 64' ' ' VAL . 44.3 mt -51.77 -31.01 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 61.119999999999997 110.889 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.64 -30.43 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -79.04 -54.13 6.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 63.240000000000002 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -57.78 -32.92 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 55.140000000000001 111.094 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -64.56 -27.88 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -51.9 -33.45 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 54.130000000000003 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -114.0 32.75 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 110.876 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.97 67.74 1.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 65.519999999999996 112.497 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.06 -25.33 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 63.32 110.891 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.883 HG11 HD22 ' A' ' 55' ' ' LEU . 13.4 m -117.34 116.94 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.646 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -84.85 3.7 36.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.878 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.030000000000001 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.731 HD22 HG21 ' A' ' 79' ' ' VAL . 25.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.775 0.321 . . . . 73.010000000000005 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.23 131.36 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.140000000000001 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.01 117.69 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.430000000000007 110.947 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.26 -13.99 47.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 43.100000000000001 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -122.03 -40.84 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 61.240000000000002 110.924 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.1 14.36 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 72.209999999999994 110.849 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.32 -26.41 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 54.549999999999997 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -75.73 -17.55 59.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 61.140000000000001 110.88 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.731 HG21 HD22 ' A' ' 71' ' ' LEU . 89.4 t -55.77 114.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.420000000000002 111.11 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 36' ' ' THR . 73.5 t -89.29 115.37 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 111.106 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.66 109.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.299999999999997 111.1 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 43.140000000000001 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -48.16 105.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.94 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 65' ' ' HIS . 30.8 mt -94.17 85.43 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.936 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.626 ' HG2' HD23 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.891 0.377 . . . . 73.120000000000005 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -44.02 75.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 52.119999999999997 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -41.21 84.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.889 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.81 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.3 mm -57.87 -21.44 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 111.146 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttt -52.35 -25.52 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 62.25 110.874 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.89 -54.06 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 72.519999999999996 110.869 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -48.32 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 60.520000000000003 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.3 t -48.09 -34.81 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' THR . 16.6 t80 -58.07 -41.86 84.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 64.549999999999997 110.854 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.694 HG11 ' CE1' ' A' ' 44' ' ' TYR . 78.5 t -76.73 -33.58 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 111.093 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.659 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.0 mm -70.31 -35.83 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 53.399999999999999 111.14 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -20.28 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 72.150000000000006 110.899 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -79.26 -23.24 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.239999999999995 111.178 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 65.400000000000006 110.937 179.85 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.659 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 55.109999999999999 111.142 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -146.87 139.44 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 110.921 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -154.35 151.57 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 71.430000000000007 111.143 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -84.54 154.94 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.040000000000006 111.166 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.5 -49.42 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.849 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.9 -47.53 53.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 41.439999999999998 112.462 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.35 -51.12 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 72.439999999999998 110.89 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.79 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 65.409999999999997 110.881 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 35.7 t80 -58.8 -51.19 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.874 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.03 -18.83 26.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.549999999999997 110.845 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -93.77 -34.51 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.75 -26.75 44.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 64.030000000000001 110.936 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.33 -27.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.519999999999996 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.48 10.95 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.120000000000005 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.9 mt -132.14 -71.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 -34.08 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 69.13 64.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.329999999999998 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.5 35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.200000000000003 110.876 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.3 p -53.99 -45.73 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 64.299999999999997 111.148 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t -53.87 -35.07 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.66 65.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 63.210000000000001 112.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -77.01 -32.77 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 73.209999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.0 mt -51.56 -33.35 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.150000000000006 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.46 -36.3 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.882 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -67.31 -49.56 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 62.310000000000002 110.846 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -64.88 -30.03 71.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 111.144 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -64.96 -27.75 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.824 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -51.74 -33.34 34.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 65.209999999999994 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -114.14 33.12 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 110.848 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.32 67.44 1.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 70.340000000000003 112.516 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.0 -25.4 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 61.340000000000003 110.906 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG11 HD22 ' A' ' 55' ' ' LEU . 22.8 m -114.52 123.14 69.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.138 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.656 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.06 13.2 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.846 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.530000000000001 110.89 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HG11 ' A' ' 79' ' ' VAL . 1.2 mp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 73.349999999999994 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -114.78 127.02 55.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.963 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 124.02 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 61.229999999999997 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.99 -5.69 78.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 75.109999999999999 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -122.13 -55.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 75.120000000000005 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 71' ' ' LEU . 5.0 m-20 -95.54 14.27 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.19 -26.44 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.109999999999999 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -72.51 -19.08 61.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 71' ' ' LEU . 68.8 t -55.61 115.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 111.105 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -92.31 111.0 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.549999999999997 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.04 109.6 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.94 112.27 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 74.129999999999995 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 33' ' ' ILE . 6.6 tp -48.25 105.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.929 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -93.31 85.32 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 63' ' ' LEU . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.882 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.892 0.377 . . . . 71.519999999999996 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -43.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.129999999999995 110.868 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.76 -41.88 82.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.981 HD12 HD13 ' A' ' 63' ' ' LEU . 32.3 mm -55.54 -22.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 52.109999999999999 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpp -47.84 -30.42 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.848 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -55.91 -51.38 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 61.420000000000002 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.26 -50.56 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 72.549999999999997 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.77 -34.41 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 45.539999999999999 110.883 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 23' ' ' THR . 14.4 t80 -56.96 -43.79 81.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.686 HG11 ' CE1' ' A' ' 44' ' ' TYR . 64.2 t -76.0 -40.85 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 61.439999999999998 111.078 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.687 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.4 mm -63.54 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 73.530000000000001 111.093 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -67.01 -23.4 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.9 p -79.17 -27.68 42.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 61.340000000000003 111.146 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.904 179.86 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 74.239999999999995 111.153 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.7 mp0 -146.07 139.71 26.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 75.540000000000006 110.937 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.9 m -155.77 146.57 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 54.219999999999999 111.151 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 80' ' ' VAL . 3.7 p -80.76 155.01 26.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 111.173 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.65 -49.4 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.904 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.61 -47.45 52.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 64.450000000000003 112.525 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -65.79 -51.04 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 73.109999999999999 110.903 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.91 -51.45 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.66 -51.26 70.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.936 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -58.56 -18.33 28.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 110.906 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 47' ' ' ILE . 2.3 tpt180 -94.25 -34.12 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.530000000000001 110.864 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.686 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.79 -26.32 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 110.878 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.5 m -56.37 -27.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.200000000000003 111.161 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -90.7 10.7 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 70.030000000000001 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.417 HD11 HH21 ' A' ' 43' ' ' ARG . 64.0 mt -131.75 -71.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 111.191 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -33.61 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 65.109999999999999 110.861 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.678 ' OD1' HG12 ' A' ' 45' ' ' VAL . 23.3 t0 69.04 63.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.210000000000001 110.913 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.83 36.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.540000000000006 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 40' ' ' LEU . 4.5 p -54.25 -45.5 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 111.144 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.452 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.6 t -53.87 -36.05 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.174 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.35 69.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 63.299999999999997 112.505 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 51' ' ' VAL . 11.7 mt -77.06 -32.3 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 74.109999999999999 111.124 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -51.81 -31.5 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 44.210000000000001 110.874 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.8 mtp -58.72 -33.77 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.420000000000002 110.91 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -68.33 -51.53 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 54.210000000000001 110.883 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -63.45 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.11 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.19 -27.6 69.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.340000000000003 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -30.81 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.33 23.69 13.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.839 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 65.75 3.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 72.510000000000005 112.503 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.06 -18.23 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 70.530000000000001 110.894 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 63' ' ' LEU . 3.8 m -112.97 116.74 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.200000000000003 111.121 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.569 ' HB2' HD11 ' A' ' 84' ' ' LEU . 5.1 t-160 -82.12 0.29 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 110.89 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 79' ' ' VAL . 8.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 72.409999999999997 110.918 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -93.07 121.51 34.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 61.340000000000003 110.865 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.95 125.16 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.420000000000002 110.957 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.52 -9.98 74.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 41.340000000000003 112.505 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -122.18 -55.06 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.323 . . . . 74.150000000000006 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.4 m-20 -92.19 14.24 16.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 75.329999999999998 110.893 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.58 -26.23 61.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.540000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -21.57 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.865 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.79 HG21 HD22 ' A' ' 71' ' ' LEU . 90.9 t -55.57 114.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 61.030000000000001 111.113 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 36' ' ' THR . 88.8 t -93.31 120.13 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.239999999999995 111.127 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.84 109.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.135 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.69 111.86 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.200000000000003 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 33' ' ' ILE . 5.7 tp -49.1 105.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 110.916 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.59 85.62 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 64.400000000000006 110.897 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.939 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 55.140000000000001 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -45.25 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.71 -39.11 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 62.229999999999997 110.866 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.798 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.4 mm -57.25 -22.58 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 70.430000000000007 111.14 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -50.99 -26.09 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.109999999999999 110.909 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.83 -54.6 40.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 73.549999999999997 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -47.37 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.519999999999996 110.926 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -47.57 -38.07 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.319999999999993 110.844 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 23' ' ' THR . 44.0 t80 -53.9 -42.89 69.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.8 t -75.99 -41.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 55.020000000000003 111.088 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.664 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.6 mm -62.82 -29.94 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.409999999999997 111.171 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -76.35 -22.83 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.13 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 71.349999999999994 110.896 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.664 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.829 0.347 . . . . 74.200000000000003 111.132 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.2 mp0 -146.79 139.45 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.8 m -156.07 151.08 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 80' ' ' VAL . 18.7 p -85.27 155.55 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 60.439999999999998 111.143 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -49.26 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 73.219999999999999 110.912 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.85 -47.25 53.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 62.039999999999999 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.93 -51.34 59.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 73.5 110.817 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.93 -50.31 66.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 52.240000000000002 110.929 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.8 t80 -59.44 -51.43 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.13 -18.61 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.25 110.851 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -93.96 -34.69 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.889 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.68 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.75 -26.59 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 65.219999999999999 110.906 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.3 m -56.2 -27.9 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.430000000000007 111.118 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -90.39 10.93 23.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.879 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.87 -71.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.146 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -126.22 -33.5 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.817 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.9 t0 68.89 65.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.862 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.98 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 110.897 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.626 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.88 -45.79 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.1 t -54.69 -35.31 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 33.020000000000003 111.13 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -32.39 65.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 63.109999999999999 112.521 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -76.92 -34.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 73.120000000000005 111.111 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 HG11 ' A' ' 64' ' ' VAL . 42.8 mt -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.28 -32.49 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 51.420000000000002 110.923 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -74.33 -50.76 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.140000000000001 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.57 -31.99 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 52.409999999999997 111.068 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.02 -27.84 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.5 110.896 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.9 -33.5 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -114.06 32.67 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 62.200000000000003 110.854 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 68.13 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 71.420000000000002 112.463 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.04 -26.87 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.340000000000003 110.934 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.753 HG11 HD22 ' A' ' 55' ' ' LEU . 7.9 m -114.19 119.93 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 52.219999999999999 111.139 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.673 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -85.38 -0.1 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 110.862 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.924 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 79' ' ' VAL . 18.6 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.787 0.327 . . . . 72.219999999999999 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.83 126.31 37.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.26 130.49 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.903 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.32 -1.99 83.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 63.329999999999998 112.513 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -122.15 -54.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 72.010000000000005 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -98.63 14.44 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.319999999999993 110.837 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.6 -26.4 55.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 44.520000000000003 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -70.63 -21.08 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.751 HG21 HD22 ' A' ' 71' ' ' LEU . 97.6 t -55.64 114.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 111.128 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 36' ' ' THR . 77.6 t -90.24 122.75 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.219999999999999 111.12 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.14 109.55 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 61.240000000000002 111.125 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.566 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -104.02 111.69 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.615 HD22 HD12 ' A' ' 33' ' ' ILE . 6.1 tp -49.18 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.8 mt -95.31 85.2 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 61.119999999999997 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.030000000000001 110.877 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 71.439999999999998 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -44.85 71.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 75.540000000000006 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.93 -39.46 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 61.450000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.987 HD12 HD13 ' A' ' 63' ' ' LEU . 27.3 mm -56.36 -22.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 53.25 111.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.6 mtp -48.0 -30.25 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.040000000000006 110.845 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.69 -51.17 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.329999999999998 110.87 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -50.24 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.200000000000003 110.897 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -48.14 -33.33 8.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.864 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 23' ' ' THR . 14.3 t80 -59.03 -42.39 90.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.899 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.7 t -77.32 -34.05 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 65.25 111.147 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.673 ' CD1' HD21 ' A' ' 40' ' ' LEU . 31.7 mm -69.94 -36.55 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 35.450000000000003 111.142 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -20.34 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.450000000000003 110.865 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.2 p -79.52 -30.26 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.509999999999998 111.162 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 65.049999999999997 110.873 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.673 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.763 0.316 . . . . 74.019999999999996 111.119 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.2 mp0 -146.64 139.66 25.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.6 m -156.45 148.5 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 52.009999999999998 111.138 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 80' ' ' VAL . 15.8 p -82.25 156.57 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -53.32 -48.73 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 74.230000000000004 110.844 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.4 -47.72 50.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 62.140000000000001 112.459 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.61 -51.11 62.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 75.310000000000002 110.867 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.3 mt -53.79 -52.23 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 72.329999999999998 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.774 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.1 -51.32 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 110.875 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.9 -18.83 25.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 71.420000000000002 110.871 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -94.2 -34.38 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.883 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.76 -26.3 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.908 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.774 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.1 m -56.28 -27.71 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.549999999999997 111.076 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -90.65 11.0 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.430000000000007 110.896 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.1 mt -132.0 -71.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 53.119999999999997 111.13 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.59 -33.62 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.030000000000001 110.887 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 68.79 64.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 62.130000000000003 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 65.430000000000007 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.95 -45.64 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 111.096 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.8 t -53.92 -36.04 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.093 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.16 -32.21 65.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 52.25 112.478 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -33.6 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 72.349999999999994 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG11 ' A' ' 64' ' ' VAL . 54.1 mt -51.72 -32.67 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.95 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 mtp -56.71 -33.05 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 110.928 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -70.17 -46.86 63.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.845 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.84 -30.51 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.329999999999998 111.098 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.13 -27.59 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -52.58 -29.81 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -113.99 23.75 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.010000000000005 110.851 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.92 66.35 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 71.409999999999997 112.484 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 14' ' ' ILE . 1.5 tt -114.01 -17.59 11.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 72.209999999999994 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 63' ' ' LEU . 3.4 m -112.61 116.7 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.329999999999998 111.076 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -83.25 1.62 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.510000000000005 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 79' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 61.219999999999999 110.947 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -93.9 127.21 39.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 70.299999999999997 110.952 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -52.73 130.11 31.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 53.350000000000001 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.61 -2.12 83.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 74.129999999999995 112.483 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -122.12 -55.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 70.099999999999994 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -97.79 14.44 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 110.865 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -26.35 53.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 70.010000000000005 110.835 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.030000000000001 110.817 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 71' ' ' LEU . 98.6 t -55.59 114.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.125 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 36' ' ' THR . 90.0 t -92.16 115.66 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 62.509999999999998 111.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.13 109.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.530000000000001 111.152 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.98 111.69 24.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.549999999999997 111.097 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 6.0 tp -48.59 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 61.340000000000003 110.897 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 57.7 mt -92.83 85.87 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 63.399999999999999 110.908 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -68.94 -43.85 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.67 -35.7 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.829 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.1 mm -57.05 -19.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.209999999999994 111.136 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -25.31 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.913 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -55.07 -57.62 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 110.905 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -46.06 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.951 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.0 t -47.96 -39.03 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.210000000000001 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' THR . 18.3 t80 -53.9 -41.86 68.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 64.400000000000006 110.83 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.664 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 94.3 t -76.09 -37.48 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.181 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.611 ' CD1' HD21 ' A' ' 40' ' ' LEU . 24.9 mm -65.42 -35.37 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 111.155 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -64.93 -28.51 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.310000000000002 110.878 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.7 p -70.83 -37.84 73.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 111.111 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.8 mmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 74.109999999999999 110.85 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.611 HG21 HG22 ' A' ' 21' ' ' ILE . 2.5 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.742 0.306 . . . . 63.039999999999999 111.146 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.97 140.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.009999999999998 110.86 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 21' ' ' ILE . 4.9 m -153.48 150.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 41.100000000000001 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 80' ' ' VAL . 15.0 p -82.56 158.07 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 71.340000000000003 111.132 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -55.97 -50.33 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.864 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.91 -48.1 46.12 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 74.230000000000004 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.92 -51.04 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 75.209999999999994 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.93 -53.71 48.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.400000000000006 110.917 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.769 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.0 t80 -57.05 -50.17 73.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.886 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -57.91 -18.32 22.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.894 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -95.34 -34.27 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.87 -24.97 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.510000000000005 110.871 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.22 -27.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.240000000000002 111.115 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -89.75 10.75 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 62.420000000000002 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.8 mt -131.83 -71.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -32.33 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 61.229999999999997 110.876 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.6 t0 68.42 60.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 63.219999999999999 110.85 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 40.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.51 -45.11 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 64.319999999999993 111.173 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' N ' HG13 ' A' ' 51' ' ' VAL . 74.5 t -53.58 -42.23 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 111.15 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 -31.09 78.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 63.439999999999998 112.451 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 51' ' ' VAL . 6.5 mt -76.59 -34.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 73.25 111.16 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.932 HD22 HG11 ' A' ' 64' ' ' VAL . 49.6 mt -52.0 -30.97 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.140000000000001 110.891 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.010000000000005 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -76.98 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 70.120000000000005 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.97 -30.34 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 111.105 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 64' ' ' VAL . 33.3 ttp85 -65.73 -27.78 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.851 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.87 -32.26 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -114.1 32.17 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.150000000000006 110.858 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 66.79 2.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 53.109999999999999 112.461 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.829 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.03 -25.35 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 65.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 55' ' ' LEU . 15.6 m -118.03 117.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 111.134 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.648 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -83.95 2.57 38.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.897 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 79' ' ' VAL . 11.6 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.835 0.35 . . . . 64.310000000000002 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -91.28 121.13 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 74.310000000000002 110.913 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 127.69 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 62.039999999999999 110.908 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -7.74 81.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 72.319999999999993 112.477 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -122.28 -54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 71.230000000000004 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 79' ' ' VAL . 4.2 m-20 -93.23 14.39 18.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 74.349999999999994 110.867 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.12 -26.12 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -20.77 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.540000000000006 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 HD22 ' A' ' 71' ' ' LEU . 78.6 t -55.48 114.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.349999999999994 111.125 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.503 HG22 HG22 ' A' ' 36' ' ' THR . 70.5 t -93.55 114.87 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 62.219999999999999 111.091 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.66 109.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -102.8 111.51 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.020000000000003 111.142 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 63' ' ' LEU . 7.5 tp -49.39 105.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.866 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 65' ' ' HIS . 26.9 mt -95.36 85.58 4.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 110.934 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 65.340000000000003 110.925 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.852 0.358 . . . . 71.329999999999998 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -40.85 78.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 72.540000000000006 110.898 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.13 -38.89 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 54.049999999999997 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.1 mm -58.89 -22.13 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 72.340000000000003 111.132 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.4 mtt -52.97 -25.19 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 54.219999999999999 110.843 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.39 -53.42 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 72.329999999999998 110.925 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -46.84 12.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.450000000000003 110.925 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.22 -36.0 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.881 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 38.4 t80 -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.329999999999998 110.944 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' CE1' ' A' ' 44' ' ' TYR . 86.3 t -76.8 -32.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 73.219999999999999 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.614 HD12 HG21 ' A' ' 35' ' ' VAL . 25.9 mm -71.48 -35.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 111.139 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -65.61 -19.61 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.3 p -79.06 -24.78 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.219999999999999 111.141 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.806 0.336 . . . . 72.019999999999996 111.131 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.51 139.86 24.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.86 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 21' ' ' ILE . 15.4 m -152.87 151.22 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 111.097 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.585 HG22 HG22 ' A' ' 80' ' ' VAL . 32.1 p -84.95 154.53 22.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 63.43 111.123 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -53.3 -47.47 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 62.399999999999999 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.89 -47.01 54.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 54.25 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -67.01 -51.16 58.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 72.5 110.864 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.74 -50.02 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.947 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.7 t80 -60.51 -51.53 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.540000000000006 110.902 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.34 -18.34 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 71.140000000000001 110.876 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -93.3 -34.99 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.833 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.704 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.69 -27.4 45.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.945 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.2 m -56.23 -28.0 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 64.120000000000005 111.109 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -90.28 10.88 23.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.049999999999997 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mt -131.97 -71.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 111.128 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -126.92 -33.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 34.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 9.5 t0 69.11 67.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 41.43 110.857 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.72 34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 61.240000000000002 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.588 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.0 p -53.87 -46.09 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 73.040000000000006 111.106 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.7 t -54.34 -34.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.230000000000004 111.147 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -33.4 65.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 14.44 112.505 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -77.0 -33.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.420000000000002 111.123 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -51.6 -31.79 26.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 64.25 110.885 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtt -60.59 -38.03 83.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.010000000000005 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.8 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 71.329999999999998 110.892 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -63.73 -29.2 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.209999999999994 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -27.8 69.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.859 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -51.83 -32.81 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -114.11 32.7 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.209999999999994 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.71 66.55 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 41.140000000000001 112.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.0 -23.75 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 71.230000000000004 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 55' ' ' LEU . 19.7 m -115.28 118.66 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 111.105 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.681 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -90.66 9.73 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.856 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.709 HD22 HG21 ' A' ' 79' ' ' VAL . 27.7 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 73.129999999999995 110.906 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -94.23 134.32 36.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.905 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.77 124.86 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.439999999999998 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.4 85.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 51.539999999999999 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -122.04 -36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 64.409999999999997 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.2 m-20 -119.24 14.34 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 65.310000000000002 110.843 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.38 -26.27 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 63.130000000000003 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -19.14 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 110.856 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.709 HG21 HD22 ' A' ' 71' ' ' LEU . 97.7 t -55.57 114.6 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 72.099999999999994 111.117 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 36' ' ' THR . 76.2 t -89.72 113.28 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 62.119999999999997 111.123 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.07 108.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.530000000000001 111.081 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -100.29 112.16 24.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 63.219999999999999 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.07 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -89.85 85.56 6.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.958 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.439999999999998 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.87 0.367 . . . . 71.099999999999994 110.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.72 -40.56 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.823 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.85 -42.45 84.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.858 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.959 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -56.22 -22.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.219999999999999 111.109 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ttm -48.52 -29.1 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 110.895 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.7 -51.3 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 55.240000000000002 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -50.77 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 44.43 110.931 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.12 -37.89 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.909 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' THR . 19.2 t80 -54.16 -43.33 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.450000000000003 110.854 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 71.7 t -76.04 -40.08 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 111.113 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.1 mm -63.65 -29.89 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.097 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -25.05 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 70.420000000000002 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -73.61 -44.65 56.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 111.161 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.859 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.669 ' CG2' HG22 ' A' ' 21' ' ' ILE . 8.3 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.78 0.324 . . . . 74.230000000000004 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . 29.3 mp0 -150.25 139.86 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 61.530000000000001 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' CG2' HG23 ' A' ' 21' ' ' ILE . 3.4 m -155.22 152.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 65.310000000000002 111.153 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 80' ' ' VAL . 19.2 p -85.18 153.85 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 63.539999999999999 111.201 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.77 -49.37 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 64.329999999999998 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.67 -47.22 52.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 70.219999999999999 112.47 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.43 -51.03 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.140000000000001 110.934 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -53.89 -50.34 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.933 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.807 ' O ' HG13 ' A' ' 45' ' ' VAL . 33.1 t80 -59.89 -52.11 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.9 t70 -58.09 -17.54 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 51.32 110.881 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -93.07 -35.49 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.893 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -79.12 -25.56 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.914 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 41' ' ' PHE . 27.8 m -56.14 -28.24 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 64.040000000000006 111.13 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.57 10.17 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 70.420000000000002 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mt -131.66 -71.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -30.37 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.853 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' HG12 ' A' ' 45' ' ' VAL . 13.6 t0 68.22 60.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 65.409999999999997 110.911 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 110.881 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.1 p -52.94 -45.99 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 111.149 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 55' ' ' LEU . 55.2 t -54.88 -43.52 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 51.310000000000002 111.108 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.49 82.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 63.340000000000003 112.454 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 4.9 mt -77.0 -35.47 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.219999999999999 111.146 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.1 mt -51.66 -30.94 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.340000000000003 110.878 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -39.56 72.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -63.49 -49.02 75.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.971 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.96 -30.48 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.219999999999999 111.122 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -27.31 68.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -52.47 -29.69 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -114.03 24.4 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.854 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.63 65.79 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 73.129999999999995 112.474 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.971 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.03 -18.19 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 72.319999999999993 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 55' ' ' LEU . 4.7 m -109.21 119.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 111.12 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.667 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -87.86 7.81 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.893 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 64.439999999999998 110.906 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.771 HD22 HG21 ' A' ' 79' ' ' VAL . 16.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 52.229999999999997 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -91.69 123.75 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.010000000000005 110.948 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 124.0 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 62.100000000000001 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.51 -17.36 53.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 53.310000000000002 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -122.17 -49.25 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 74.549999999999997 110.878 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.49 14.28 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 64.329999999999998 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.45 -26.38 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 63.409999999999997 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -18.61 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.771 HG21 HD22 ' A' ' 71' ' ' LEU . 96.0 t -55.65 114.82 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 36' ' ' THR . 80.4 t -91.25 112.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 50.539999999999999 111.171 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.21 109.33 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 111.115 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -103.85 113.09 26.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 111.158 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 tp -47.35 105.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD11 ' CG ' ' A' ' 65' ' ' HIS . 25.1 mt -96.48 95.0 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.866 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.875 0.369 . . . . 73.329999999999998 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.18 75.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.56 -42.46 87.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.877 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.804 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.6 mm -57.43 -20.55 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.230000000000004 111.127 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -25.95 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 65.230000000000004 110.86 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.01 -54.77 38.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.9 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -46.43 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 74.409999999999997 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -47.8 -38.45 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 15.9 t80 -53.77 -42.2 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 74.2 t -75.87 -40.68 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 111.108 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.64 HG22 ' CG2' ' A' ' 33' ' ' ILE . 26.6 mm -62.7 -31.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.349999999999994 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -68.74 -24.28 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.905 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.2 p -74.06 -24.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 65.209999999999994 111.16 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.43 ' HB2' HG11 ' A' ' 35' ' ' VAL . 89.6 mmm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 110.904 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.64 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.338 . . . . 70.340000000000003 111.1 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -147.57 139.35 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 54.450000000000003 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 24' ' ' MET . 5.8 m -154.72 151.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 64.430000000000007 111.12 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 p -84.04 154.35 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.5 111.107 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.78 -48.96 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.109999999999999 110.911 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.14 -46.66 56.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 54.539999999999999 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.44 -51.4 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 62.509999999999998 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.0 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.019999999999996 110.927 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.8 t80 -60.03 -51.54 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 110.897 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.34 -18.35 26.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.010000000000005 110.863 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.26 -34.63 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.79 -26.13 44.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.942 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.9 m -56.26 -27.78 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 72.439999999999998 111.136 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -90.3 10.78 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mt -131.86 -71.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 65.120000000000005 111.159 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.27 -33.53 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 110.861 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.693 ' OD1' HG12 ' A' ' 45' ' ' VAL . 30.3 t0 68.99 63.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.12 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.229999999999997 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.5 -45.82 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 111.151 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 77.5 t -55.3 -35.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 53.020000000000003 111.165 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.89 66.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.481 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.74 -35.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 75.040000000000006 111.132 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD22 HG11 ' A' ' 64' ' ' VAL . 46.8 mt -51.7 -30.95 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 110.924 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.27 -33.84 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.119999999999997 110.883 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -74.61 -44.39 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.838 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -66.14 -32.58 74.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 61.450000000000003 111.069 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -64.88 -27.81 69.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 64.439999999999998 110.839 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -51.82 -33.54 36.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 110.907 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -114.06 32.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.299999999999997 110.858 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.21 2.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.735 . . . . 73.129999999999995 112.485 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -114.03 -23.92 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 55' ' ' LEU . 12.4 m -114.67 121.02 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 64.329999999999998 111.144 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -88.95 -4.6 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.120000000000005 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.030000000000001 110.866 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.806 HD22 HG21 ' A' ' 79' ' ' VAL . 4.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.772 0.32 . . . . 72.319999999999993 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -91.5 121.4 33.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 74.030000000000001 110.906 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 125.34 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 110.938 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.96 -9.26 77.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 64.409999999999997 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -122.27 -55.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 71.530000000000001 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 79' ' ' VAL . 21.9 m-20 -93.03 14.42 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 53.140000000000001 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -56.26 -26.24 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -19.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.806 HG21 HD22 ' A' ' 71' ' ' LEU . 74.0 t -55.58 115.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 70.109999999999999 111.123 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -92.67 116.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 72.019999999999996 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.43 109.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CD1' ' A' ' 84' ' ' LEU . 2.5 t -105.43 113.4 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 64.409999999999997 111.129 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 33' ' ' ILE . 5.2 tp -51.91 104.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 41.450000000000003 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HG23 ' A' ' 82' ' ' THR . 4.9 mp -93.95 84.76 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 63.109999999999999 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.4 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 75.519999999999996 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -68.71 -42.97 76.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.927 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.78 -41.85 87.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.219999999999999 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.5 mm -57.83 -20.59 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 34.32 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.3 ttp -52.01 -25.26 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 52.240000000000002 110.911 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.99 -53.76 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.874 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -47.08 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.510000000000005 110.919 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.12 15.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' THR . 44.5 t80 -54.7 -41.93 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.683 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.2 t -75.73 -36.78 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.099999999999994 111.157 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.648 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.6 mm -66.53 -35.81 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 111.153 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -64.91 -27.49 68.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.8 p -72.95 -24.8 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 55.130000000000003 111.196 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.664 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.0 mtm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.329999999999998 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.0 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.793 0.33 . . . . 54.350000000000001 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -148.05 139.97 24.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 63.229999999999997 110.905 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.8 m -154.26 150.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 63.329999999999998 111.134 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 p -82.46 158.45 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 111.114 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.35 -46.77 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.56 49.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 75.5 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.93 -48.45 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 62.200000000000003 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -55.06 -48.09 73.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.209999999999994 110.934 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.779 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.1 t80 -63.07 -52.95 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.849 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -58.33 -18.12 25.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 63.350000000000001 110.881 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -94.4 -34.77 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.862 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.683 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.83 -25.98 44.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.430000000000007 110.932 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.8 m -56.28 -27.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 62.329999999999998 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -89.97 10.75 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.400000000000006 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.6 mt -131.8 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.139 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -124.57 -32.99 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 63.210000000000001 110.802 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD1' HG12 ' A' ' 45' ' ' VAL . 11.9 t0 68.81 62.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 75.430000000000007 110.845 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.19 39.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 60.450000000000003 110.836 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.69 -45.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 41.340000000000003 111.142 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' N ' HG13 ' A' ' 51' ' ' VAL . 55.6 t -55.64 -35.32 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 72.129999999999995 111.1 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.01 -31.52 66.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 73.319999999999993 112.456 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.81 -36.2 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.329999999999998 111.136 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 64' ' ' VAL . 44.6 mt -51.77 -30.96 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 63.530000000000001 110.931 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 52.340000000000003 110.867 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -76.33 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.04 -31.14 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.510000000000005 111.1 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -66.42 -27.91 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -51.82 -32.98 33.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 54.420000000000002 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -114.11 29.49 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.88 68.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 53.240000000000002 112.54 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.37 -27.91 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 61.409999999999997 110.87 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.926 HG11 HD22 ' A' ' 55' ' ' LEU . 16.8 m -115.77 120.73 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.622 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -86.25 5.5 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.873 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.85 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 79' ' ' VAL . 13.1 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 54.350000000000001 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -90.38 119.58 30.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.927 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.44 128.84 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 63.5 110.932 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 -8.99 78.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 55.039999999999999 112.501 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -122.37 -52.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 74.209999999999994 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.8 m-20 -94.66 14.16 21.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 110.86 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.17 -26.1 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 54.149999999999999 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -68.16 -20.74 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 71' ' ' LEU . 75.5 t -55.52 114.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.131 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.46 118.31 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.59 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 111.109 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.86 111.92 24.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 62.030000000000001 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 tp -50.03 105.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.885 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.622 HD11 ' CG ' ' A' ' 65' ' ' HIS . 19.4 mt -97.83 89.28 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.129999999999995 110.914 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.450000000000003 110.878 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 73.209999999999994 110.917 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -69.35 -43.71 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 52.219999999999999 110.866 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.58 -42.34 87.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.905 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.861 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.7 mm -57.48 -19.99 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 41.539999999999999 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.6 ttt -51.27 -25.47 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.019999999999996 110.857 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.07 -57.5 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 73.510000000000005 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -45.77 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.340000000000003 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 t -48.03 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.887 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 23' ' ' THR . 47.6 t80 -53.75 -42.4 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.150000000000006 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.695 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -76.05 -39.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 33' ' ' ILE . 25.9 mm -64.21 -31.43 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.120000000000005 111.169 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -68.99 -28.76 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.802 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -69.31 -23.78 63.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 63.219999999999999 111.184 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 63.530000000000001 110.847 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 74.129999999999995 111.115 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.030000000000001 110.902 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 21' ' ' ILE . 6.9 m -154.46 153.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 64.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -87.06 155.46 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.114 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.7 -49.05 63.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.62 -47.23 52.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 60.420000000000002 112.443 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.09 -51.13 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 75.319999999999993 110.876 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.85 -49.5 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.879 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.766 ' O ' HG13 ' A' ' 45' ' ' VAL . 37.1 t80 -60.16 -52.27 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 62.340000000000003 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -19.23 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 75.430000000000007 110.83 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -93.25 -34.32 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.439999999999998 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.695 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.58 -27.5 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.922 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.3 m -56.15 -27.89 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 64.319999999999993 111.15 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -90.61 10.93 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 110.849 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -132.02 -71.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.030000000000001 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 -34.01 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.667 ' OD1' HG12 ' A' ' 45' ' ' VAL . 22.9 t0 69.15 64.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.27 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 72.340000000000003 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.592 HG21 HD22 ' A' ' 40' ' ' LEU . 4.1 p -53.8 -45.92 62.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 52.119999999999997 111.122 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.5 t -54.72 -34.18 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 50.439999999999998 111.132 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -33.6 66.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 65.140000000000001 112.499 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.99 -33.95 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 75.019999999999996 111.174 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.863 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.74 -30.91 24.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.040000000000006 110.924 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 mtm -58.75 -34.51 71.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 60.399999999999999 110.931 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -73.47 -55.05 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -56.37 -33.62 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' HG23 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -64.19 -27.78 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.903 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -51.87 -33.41 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.439999999999998 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -114.02 32.86 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.010000000000005 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.23 67.34 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 72.329999999999998 112.495 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.47 -26.44 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 110.941 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 55' ' ' LEU . 17.0 m -116.94 119.4 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 41.409999999999997 111.133 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -86.13 5.37 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 71.140000000000001 110.879 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.876 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD22 HG21 ' A' ' 79' ' ' VAL . 26.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.929 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -91.09 122.13 33.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -51.89 127.23 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.86 -7.79 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 55.039999999999999 112.459 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -122.0 -53.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 75.200000000000003 110.9 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 71' ' ' LEU . 3.1 m-20 -96.62 14.28 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.310000000000002 110.847 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -59.44 -26.5 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 51.450000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -69.11 -20.71 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.737 HG21 HD22 ' A' ' 71' ' ' LEU . 94.3 t -55.8 115.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.128 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -90.45 121.89 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.020000000000003 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.01 109.25 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.049999999999997 111.157 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.627 HG23 HD21 ' A' ' 84' ' ' LEU . 1.8 t -103.6 113.7 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 111.177 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 4.6 tp -48.8 105.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.965 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.4 mt -95.94 84.38 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.895 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 44.200000000000003 110.867 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 72.219999999999999 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -68.72 -42.8 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.219999999999999 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -41.55 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 110.902 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.811 HD12 ' HG ' ' A' ' 63' ' ' LEU . 48.1 mm -58.12 -20.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.430000000000007 111.11 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.32 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.510000000000005 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.98 -54.04 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -47.94 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 65.310000000000002 110.865 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.65 -38.07 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.319999999999993 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 23' ' ' THR . 45.5 t80 -53.89 -42.59 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.927 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.707 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.4 t -75.79 -39.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.310000000000002 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 27.1 mm -63.52 -31.23 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 61.409999999999997 111.109 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -69.87 -24.27 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.1 p -71.81 -27.1 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.099999999999994 111.13 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.713 ' HE3' HG11 ' A' ' 35' ' ' VAL . 48.6 mtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.907 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.627 HD12 HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 75.510000000000005 111.106 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 35' ' ' VAL . 21.6 mp0 -146.31 139.33 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 71.239999999999995 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.4 m -155.17 151.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 111.181 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -84.22 154.16 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.147 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.86 -47.66 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.59 -47.3 52.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.731 . . . . 42.229999999999997 112.474 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.3 -50.69 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 72.519999999999996 110.901 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -53.85 -49.26 68.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.982 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.5 t80 -60.66 -52.13 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.430000000000007 110.916 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -58.35 -18.66 29.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 75.450000000000003 110.833 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -93.54 -34.44 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.040000000000006 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.707 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.89 -26.92 43.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 70.030000000000001 110.936 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 31.5 m -56.31 -27.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 53.32 111.131 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -90.49 10.82 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.2 mt -131.99 -71.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -34.03 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 73.010000000000005 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.67 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.26 64.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.41 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.150000000000006 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.4 p -54.21 -45.38 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 111.114 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' N ' HG13 ' A' ' 51' ' ' VAL . 53.5 t -54.14 -37.53 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.84 -33.12 79.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 72.530000000000001 112.515 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.8 mt -76.78 -33.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.099999999999994 111.141 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.82 HD22 HG11 ' A' ' 64' ' ' VAL . 46.5 mt -51.59 -30.95 22.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -59.86 -35.33 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -70.65 -55.0 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 62.530000000000001 110.88 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.35 -32.36 68.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 111.113 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -27.61 69.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -51.74 -33.64 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -114.06 33.36 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 62.219999999999999 110.883 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.94 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 24.539999999999999 112.457 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.811 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.12 -25.94 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 52.229999999999997 110.941 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.82 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -118.54 117.37 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 51.509999999999998 111.113 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.549 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -85.99 5.14 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 74.109999999999999 110.895 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 63.329999999999998 110.846 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 79' ' ' VAL . 35.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 75.109999999999999 110.909 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -89.2 125.68 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.140000000000001 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 121.16 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 72.030000000000001 110.903 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.96 56.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 74.299999999999997 112.456 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -122.04 -52.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 72.209999999999994 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 71' ' ' LEU . 5.3 m-20 -92.19 14.21 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.239999999999995 110.892 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.44 -26.54 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 54.409999999999997 110.863 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -71.48 -19.18 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 71' ' ' LEU . 98.7 t -55.84 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 111.143 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.5 123.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.64 109.55 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.040000000000006 111.158 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.66 111.79 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 33' ' ' ILE . 5.5 tp -49.27 105.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 54.310000000000002 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.9 mt -93.47 85.26 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.310000000000002 110.957 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 72.299999999999997 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.859 0.361 . . . . 74.340000000000003 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -68.63 -44.75 73.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 60.409999999999997 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -42.72 87.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.803 HD12 ' HG ' ' A' ' 63' ' ' LEU . 43.4 mm -57.87 -21.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 45.149999999999999 111.13 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.64 8.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.882 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.12 -54.13 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 -46.77 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 64.319999999999993 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -47.69 -38.14 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' THR . 41.3 t80 -53.74 -43.02 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.914 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.1 t -76.14 -41.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.109999999999999 111.15 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.674 HG22 ' CG2' ' A' ' 33' ' ' ILE . 34.0 mm -61.73 -31.13 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.101 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -23.02 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 72.200000000000003 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -78.31 -22.01 48.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 41.420000000000002 111.128 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.848 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.674 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.797 0.332 . . . . 45.119999999999997 111.118 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.8 mp0 -148.16 139.2 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.420000000000002 110.903 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 21' ' ' ILE . 1.9 m -157.26 150.97 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 70.450000000000003 111.09 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 41.1 p -86.52 156.39 20.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 72.340000000000003 111.155 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 71' ' ' LEU . 4.9 t80 -51.63 -47.32 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 62.450000000000003 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.77 -47.55 52.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 34.009999999999998 112.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.99 -50.86 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 73.409999999999997 110.894 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.2 mt -53.78 -47.6 70.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.530000000000001 110.915 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 45' ' ' VAL . 40.3 t80 -61.94 -52.24 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.549999999999997 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.73 -18.06 28.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 110.821 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -93.66 -34.8 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.875 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.81 -26.99 44.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 73.530000000000001 110.917 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.26 -28.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 71.310000000000002 111.103 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -90.06 10.79 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 65.450000000000003 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -131.82 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 111.119 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.2 -33.86 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 54.229999999999997 110.896 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.658 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.18 66.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 110.857 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.98 -45.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 62.219999999999999 111.125 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 71' ' ' LEU . 56.0 t -54.34 -35.77 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.340000000000003 111.154 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.12 -31.83 66.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 62.140000000000001 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.2 mt -76.86 -35.57 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 54.32 111.174 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -52.18 -35.3 48.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.93 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.96 -28.38 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.836 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -50.85 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -60.82 -32.22 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -27.85 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 110.888 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -51.84 -33.48 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.955 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -114.04 31.89 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 44.549999999999997 110.886 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 66.77 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 61.219999999999999 112.547 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.803 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.39 -27.98 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 71.150000000000006 110.908 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.783 HG11 HD22 ' A' ' 55' ' ' LEU . 9.3 m -113.44 121.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 61.149999999999999 111.144 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.696 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -88.07 7.82 29.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 54.329999999999998 110.891 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.892 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 52' ' ' VAL . 5.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.778 0.323 . . . . 74.109999999999999 110.931 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -101.11 122.51 43.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.889 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.41 116.96 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 72.230000000000004 110.946 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 -11.4 56.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 74.109999999999999 112.501 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -122.11 -55.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 72.230000000000004 110.933 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.13 14.14 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 110.899 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.76 -26.49 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -18.31 56.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 54.009999999999998 110.85 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 71' ' ' LEU . 88.9 t -55.8 115.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.409999999999997 111.1 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.3 t -89.73 121.15 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 111.164 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.82 109.39 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 111.161 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.41 113.02 26.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 70.510000000000005 111.136 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.548 ' CD2' HD12 ' A' ' 33' ' ' ILE . 5.2 tp -48.96 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.299999999999997 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.696 HD11 ' CG ' ' A' ' 65' ' ' HIS . 27.5 mt -96.41 89.38 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.409999999999997 110.9 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.872 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.529 -0.228 . . . . 62.530000000000001 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.58 179.75 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 52.25 111.124 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 mmt -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.845 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.55 -169.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 71.5 111.098 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -89.58 -31.84 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.030000000000001 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.78 40.32 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 63.130000000000003 111.052 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -54.39 -32.34 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 110.85 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.1 -25.97 52.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.08 0.31 41.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 63.439999999999998 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG22 ' CD2' ' A' ' 11' ' ' TYR . 35.7 mm -77.81 -41.69 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 111.123 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' CD2' HG22 ' A' ' 10' ' ' ILE . 71.2 m-85 -145.34 126.09 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 74.420000000000002 110.858 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -57.77 -41.87 82.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.983 HD12 HD13 ' A' ' 63' ' ' LEU . 33.8 mm -55.56 -22.03 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.166 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.5 ttp -47.67 -30.42 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.886 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.32 -51.24 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.925 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.37 -49.98 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 t -47.44 -38.74 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 110.852 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 23' ' ' THR . 13.7 t80 -53.74 -42.88 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 75.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 ' CE1' ' A' ' 44' ' ' TYR . 83.3 t -76.36 -41.8 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 65.409999999999997 111.114 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 25.3 mm -60.55 -33.17 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.65 -24.77 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.836 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.8 p -77.21 -43.68 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.019999999999996 111.119 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 mmt -72.56 -57.33 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.854 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.644 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -95.91 127.37 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 52.109999999999999 111.114 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -84.86 1.73 45.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.862 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -56.21 -23.16 33.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.409999999999997 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -30.44 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 62.200000000000003 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.76 84.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.878 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -32.3 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.310000000000002 110.836 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.71 -113.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 70.129999999999995 112.482 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -54.8 153.42 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 64.109999999999999 110.888 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 6.9 mt -123.04 150.81 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.116 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -149.21 140.44 23.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 25' ' ' ALA . 3.8 m -154.38 149.45 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 111.151 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 7.7 p -83.33 153.88 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 111.175 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.87 -50.71 60.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.14 46.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 50.109999999999999 112.466 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.94 -50.34 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 75.319999999999993 110.933 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.99 -53.75 48.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.349999999999994 110.921 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 23.6 t80 -57.0 -50.95 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 110.864 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -57.78 -18.7 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.450000000000003 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -94.52 -34.47 12.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.624 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.7 -25.95 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.931 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.1 m -56.33 -27.89 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.409999999999997 111.11 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.82 10.71 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -131.79 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 74.040000000000006 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.81 -32.65 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 50.130000000000003 110.886 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.7 t0 68.65 63.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 74.430000000000007 110.861 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.14 38.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 72.140000000000001 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.0 p -53.31 -45.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 75.420000000000002 111.081 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' N ' HG13 ' A' ' 51' ' ' VAL . 61.8 t -55.31 -35.15 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.117 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -32.83 65.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 55.100000000000001 112.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.1 mt -77.08 -32.55 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 72.129999999999995 111.132 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG11 ' A' ' 64' ' ' VAL . 46.6 mt -51.78 -31.08 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.549999999999997 110.912 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -34.78 73.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.855 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -67.88 -46.65 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.9 -35.53 80.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 50.210000000000001 111.123 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -58.43 -27.49 64.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.866 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -51.97 -30.94 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 65.530000000000001 110.867 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -113.96 24.84 11.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.93 66.18 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 53.299999999999997 112.533 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 14' ' ' ILE . 1.4 tt -114.02 -17.69 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.540000000000006 110.925 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -112.51 116.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 111.174 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -84.41 3.11 37.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.85 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.24 161.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 63.119999999999997 110.885 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.12 160.5 20.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.86 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.27 164.21 38.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 31.350000000000001 112.52 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -82.26 -15.7 52.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 60.210000000000001 110.872 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.746 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.5 ptp -167.04 170.46 11.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 45.530000000000001 110.85 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 79' ' ' VAL . 12.2 mt -127.98 121.84 30.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 72.329999999999998 110.943 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -91.19 122.02 33.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.931 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 128.65 24.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 110.945 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.09 -6.53 83.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 20.239999999999998 112.476 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -122.17 -54.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 71.030000000000001 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -94.9 14.6 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 63.530000000000001 110.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.22 -26.17 50.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -20.82 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 63.520000000000003 110.857 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 71' ' ' LEU . 81.0 t -55.51 114.77 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 70.430000000000007 111.12 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 36' ' ' THR . 76.6 t -93.3 112.3 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.420000000000002 111.186 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.59 109.2 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.52 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.349999999999994 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.3 tp -49.18 105.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 70.439999999999998 110.951 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 65' ' ' HIS . 48.6 mt -94.59 93.38 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 71.530000000000001 110.931 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 63' ' ' LEU . 23.9 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 45.520000000000003 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.512 -0.235 . . . . 62.32 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.91 -170.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 74.109999999999999 111.081 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.72 124.95 29.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 44.240000000000002 110.883 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.69 -169.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 72.5 111.102 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -89.42 -31.31 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 110.846 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.72 40.16 26.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.26 -31.83 61.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 72.510000000000005 110.862 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -73.95 -24.72 59.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.420000000000002 110.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.17 0.45 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.638 HG22 ' CD2' ' A' ' 11' ' ' TYR . 37.8 mm -79.45 -58.99 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 75.549999999999997 111.136 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CD2' HG22 ' A' ' 10' ' ' ILE . 41.0 m-85 -130.45 124.18 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 74.030000000000001 110.937 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -68.37 -43.05 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.299999999999997 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.73 -39.91 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 63.109999999999999 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.3 mm -57.7 -22.91 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.239999999999995 111.107 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -52.54 -25.64 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.219999999999999 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -55.46 -52.81 62.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -47.63 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.049999999999997 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.44 -38.51 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 63.539999999999999 110.866 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.92 -42.05 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 44' ' ' TYR . 73.0 t -75.91 -38.71 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 60.219999999999999 111.147 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 19.7 mm -64.35 -29.88 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.146 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.68 -23.56 61.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.530000000000001 110.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -71.79 -44.09 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 64.010000000000005 111.134 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.9 mmm -82.29 -56.48 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -97.06 120.79 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 42.409999999999997 111.088 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -90.62 11.77 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -55.85 -22.47 25.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.824 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -50.29 -31.08 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 52.329999999999998 110.855 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.6 ttm-85 -65.74 -36.83 84.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.809 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.96 -32.41 20.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 54.32 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 164.93 -114.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 32.240000000000002 112.484 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -73.16 153.46 40.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 73.239999999999995 110.896 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.615 ' CG2' HG22 ' A' ' 21' ' ' ILE . 6.2 mt -108.85 153.02 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 111.148 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -148.99 139.94 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.030000000000001 110.91 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 21' ' ' ILE . 6.4 m -153.75 149.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 111.157 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 80' ' ' VAL . 29.3 p -83.75 153.06 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 65.030000000000001 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.85 -49.28 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 64.439999999999998 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.94 -46.72 55.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 61.32 112.491 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.22 -51.3 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 73.530000000000001 110.906 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.74 -50.83 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 63.130000000000003 110.898 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -59.83 -51.76 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 51.149999999999999 110.838 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.03 -18.36 23.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -94.39 -34.76 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.854 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.66 -25.9 44.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 51.350000000000001 110.939 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.7 m -56.34 -27.74 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 63.109999999999999 111.105 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -90.11 10.75 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.109999999999999 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -131.84 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.75 -33.08 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 110.848 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.703 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.1 t0 68.74 63.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 61.219999999999999 110.874 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.2 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.54 -45.63 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 54.409999999999997 111.106 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 71' ' ' LEU . 60.9 t -55.33 -35.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -31.35 66.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 65.129999999999995 112.494 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.77 -35.83 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 75.140000000000001 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD22 HG11 ' A' ' 64' ' ' VAL . 48.4 mt -51.77 -33.74 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.240000000000002 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 mtp -55.09 -30.12 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 110.914 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.41 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.854 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -71.21 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 111.11 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -27.6 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 63.350000000000001 110.845 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -51.55 -33.69 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 64.530000000000001 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -114.07 32.41 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.140000000000001 110.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.7 66.76 2.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 72.150000000000006 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.43 -27.27 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 74.219999999999999 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.652 HG11 HD22 ' A' ' 55' ' ' LEU . 5.2 m -111.54 120.31 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.139 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -85.58 -4.69 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 51.340000000000003 110.879 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.98 161.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 62.329999999999998 110.877 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.21 174.46 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.888 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.19 -169.39 0.6 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 70.109999999999999 112.498 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -120.06 22.67 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 72.450000000000003 110.928 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 ptp -176.79 162.64 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 63.450000000000003 110.86 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -135.39 121.78 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 63.149999999999999 110.9 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -84.39 114.48 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.954 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.07 116.9 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 74.439999999999998 110.915 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -13.14 44.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 72.439999999999998 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -122.13 -53.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 73.5 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.08 14.17 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 60.5 110.882 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.14 -26.46 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -71.38 -19.75 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 71' ' ' LEU . 98.9 t -55.71 114.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 70.310000000000002 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 36' ' ' THR . 69.5 t -89.68 111.34 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 61.520000000000003 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.92 109.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.178 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.559 HG23 HD21 ' A' ' 84' ' ' LEU . 1.5 t -100.43 111.43 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 61.329999999999998 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 8.2 tp -48.35 105.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.939 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 33.7 mt -92.13 85.76 5.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.879 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.219999999999999 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.477 -0.249 . . . . 40.200000000000003 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.74 -60.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.120000000000005 111.07 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.1 mtp -141.73 -74.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.89 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 57.92 -169.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 61.049999999999997 111.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -90.63 -35.73 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.76 39.85 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 111.092 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.41 -31.74 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.519999999999996 110.901 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -77.27 -25.76 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.877 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.477 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -81.98 0.32 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 74.340000000000003 110.883 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.662 HG22 ' CD2' ' A' ' 11' ' ' TYR . 39.1 mm -74.67 -34.89 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.099999999999994 111.115 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.662 ' CD2' HG22 ' A' ' 10' ' ' ILE . 74.3 m-85 -153.57 124.84 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 71.230000000000004 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -68.64 -41.29 79.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.219999999999999 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.62 -41.53 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.96 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -55.53 -22.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.019999999999996 111.166 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -30.26 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.859 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -56.94 -50.31 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 64.430000000000007 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -50.85 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.219999999999999 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.62 -36.03 10.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.861 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 23' ' ' THR . 45.6 t80 -56.49 -42.81 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.219999999999999 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 44' ' ' TYR . 74.7 t -75.75 -36.92 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.020000000000003 111.115 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.655 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.8 mm -66.9 -35.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.099999999999994 111.145 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -65.58 -28.5 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.8 p -70.8 -36.05 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.155 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.672 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.6 mtm -76.88 -56.53 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.755 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -79.86 140.27 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 52.130000000000003 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -111.02 -75.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 61.240000000000002 110.832 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.19 -31.46 43.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.219999999999999 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.755 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -54.33 -27.19 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -51.64 -29.08 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.868 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.37 -32.22 72.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.865 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.95 -112.47 0.88 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 62.140000000000001 112.495 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -90.52 153.04 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 75.420000000000002 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt -109.78 143.71 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 111.121 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.2 mp0 -148.7 140.39 23.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.915 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.1 m -154.78 150.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.519999999999996 111.107 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 80' ' ' VAL . 24.8 p -82.14 157.96 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 111.135 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.68 -45.97 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.92 -46.59 49.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 45.43 112.474 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.4 -49.21 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 54.350000000000001 110.913 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.655 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.35 -46.65 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.049999999999997 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.784 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.9 t80 -64.44 -53.28 50.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.62 -18.02 26.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 110.833 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 64.049999999999997 110.854 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.92 -26.17 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.219999999999999 110.932 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.5 m -56.32 -27.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.81 10.69 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.866 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -131.78 -71.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 70.510000000000005 111.145 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -124.01 -32.43 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 50.149999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t0 68.5 62.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.829 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.75 -45.42 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 71.120000000000005 111.145 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.4 t -55.58 -35.28 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.040000000000006 111.149 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.02 -32.04 66.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 71.030000000000001 112.506 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -34.07 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 51.530000000000001 111.146 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.68 -31.01 24.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 71.299999999999997 110.933 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.2 mtp -57.28 -32.7 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 64.040000000000006 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -70.95 -48.16 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 71.420000000000002 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.954 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.85 -30.87 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.019999999999996 111.121 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -27.67 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.874 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -52.1 -31.26 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 61.210000000000001 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -113.79 23.64 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 74.310000000000002 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.79 67.32 2.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 63.25 112.5 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.96 HD13 HD12 ' A' ' 14' ' ' ILE . 1.3 tt -114.0 -17.26 12.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 74.239999999999995 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 HD22 ' A' ' 55' ' ' LEU . 3.9 m -113.0 116.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 111.122 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.1 t-80 -84.56 3.23 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.229999999999997 110.844 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.01 161.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.010000000000005 110.87 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -105.27 153.43 21.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 65.409999999999997 110.914 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.23 155.74 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 55.539999999999999 112.507 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.43 -18.1 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.337 . . . . 74.25 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.714 ' O ' HD23 ' A' ' 71' ' ' LEU . 32.3 mtp -151.86 165.04 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 70.510000000000005 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 70' ' ' MET . 24.2 mt -128.77 121.96 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.937 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -92.81 129.7 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 110.903 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -60.32 119.23 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.69 -13.54 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 45.310000000000002 112.467 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -122.11 -43.93 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 74.109999999999999 110.904 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.82 14.33 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 110.858 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.84 -26.37 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.848 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -73.66 -18.79 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.099999999999994 110.851 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.71 HG21 HD22 ' A' ' 71' ' ' LEU . 93.7 t -55.7 114.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 111.138 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 36' ' ' THR . 79.9 t -91.65 113.22 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 65.239999999999995 111.089 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.61 109.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.340000000000003 111.098 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.93 112.15 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 53.329999999999998 111.152 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.76 105.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.903 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.2 mt -93.71 87.47 5.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.451 -0.26 . . . . 64.340000000000003 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.0 -177.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 63.32 111.107 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.18 147.2 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 -169.77 2.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 34.030000000000001 111.112 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.77 -42.54 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 70.239999999999995 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 9' ' ' HIS . . . 51.47 41.59 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 111.089 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -55.02 -33.0 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 60.109999999999999 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -22.74 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 70.239999999999995 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 10.7 t-160 -82.14 1.52 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.854 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -87.12 -52.95 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -126.6 117.57 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.2 79.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 74.239999999999995 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.28 -40.52 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.904 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.842 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.5 mm -57.72 -20.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.200000000000003 111.128 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttt -52.37 -25.4 9.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.019999999999996 110.849 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.85 -54.19 45.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.030000000000001 110.916 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -46.1 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 54.119999999999997 110.887 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -47.9 -38.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 43.520000000000003 110.847 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' THR . 18.7 t80 -53.98 -42.0 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.913 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.5 t -75.88 -37.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 72.019999999999996 111.158 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.3 mm -65.49 -34.23 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 111.165 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -27.49 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 65.349999999999994 110.869 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.4 p -72.32 -25.84 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.400000000000006 111.142 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.66 ' HE3' HG11 ' A' ' 35' ' ' VAL . 34.5 mtm -88.68 -57.2 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.858 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -77.35 147.62 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 60.329999999999998 111.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -116.0 -75.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 54.439999999999998 110.923 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -54.36 -25.91 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 110.83 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.555 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -54.24 -26.95 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.230000000000004 110.865 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -51.29 -29.56 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.43 -32.23 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 62.240000000000002 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.18 -121.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 43.109999999999999 112.501 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -80.4 153.04 28.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 73.239999999999995 110.935 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt -109.89 147.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.450000000000003 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -149.29 140.25 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 60.32 110.864 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.2 m -153.88 150.76 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 65.140000000000001 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 HG22 ' A' ' 80' ' ' VAL . 24.2 p -83.47 156.35 22.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.109999999999999 111.164 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.34 -46.13 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.874 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.06 50.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 41.439999999999998 112.463 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.57 -50.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 72.310000000000002 110.894 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.7 mt -54.0 -45.81 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 110.929 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.777 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.6 t80 -65.12 -53.07 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -58.96 -17.95 29.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 61.119999999999997 110.88 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -93.49 -34.75 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.439999999999998 110.824 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.82 -27.22 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.914 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.22 -27.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 74.549999999999997 111.176 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -89.96 10.69 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 72.219999999999999 110.905 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.79 -71.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.47 -34.0 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 55.219999999999999 110.866 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t0 69.25 66.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 73.340000000000003 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.77 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 62.130000000000003 110.92 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -54.02 -45.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.5 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 48.3 t -53.99 -34.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.019999999999996 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.09 -33.21 65.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 63.109999999999999 112.496 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.0 mt -76.82 -32.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 64.519999999999996 111.14 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HG11 ' A' ' 64' ' ' VAL . 45.9 mt -51.77 -31.16 25.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 74.329999999999998 110.903 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.4 mtt -60.38 -34.42 73.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 61.439999999999998 110.884 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -71.79 -55.02 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.875 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.65 -31.09 67.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -65.24 -27.89 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.843 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -51.89 -33.38 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.877 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -114.01 32.26 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 51.5 110.856 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.61 1.94 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 53.240000000000002 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.842 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -113.99 -24.56 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 72.230000000000004 110.932 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.888 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -120.14 118.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 111.122 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.611 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -88.21 8.24 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 61.119999999999997 110.836 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 161.08 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.049999999999997 110.884 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.99 160.25 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.310000000000002 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.27 146.89 1.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 32.210000000000001 112.489 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -72.29 -18.81 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.299999999999997 110.891 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.567 ' O ' HD23 ' A' ' 71' ' ' LEU . 9.6 mtt -151.64 158.19 43.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 64.349999999999994 110.846 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.824 HD22 HG21 ' A' ' 79' ' ' VAL . 32.3 mt -126.43 121.96 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 55.130000000000003 110.981 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -92.22 121.33 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.938 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 127.93 22.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.23 -7.68 80.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 51.450000000000003 112.496 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -122.26 -39.39 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 74.430000000000007 110.898 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -113.39 14.15 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 63.200000000000003 110.864 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -56.4 -26.18 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -69.22 -20.66 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.824 HG21 HD22 ' A' ' 71' ' ' LEU . 81.4 t -55.46 114.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 36' ' ' THR . 71.2 t -91.96 116.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.120000000000005 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.84 109.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -102.15 111.6 23.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 62.520000000000003 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.68 105.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD11 ' CG ' ' A' ' 65' ' ' HIS . 43.0 mt -94.73 85.24 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.109999999999999 110.899 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 54.020000000000003 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.464 -0.254 . . . . 74.430000000000007 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.79 -169.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 74.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.7 mtt -57.86 135.69 56.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.21 -169.78 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 44.350000000000001 111.101 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -89.77 -41.14 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.010000000000005 110.904 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.74 40.05 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.349999999999994 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -55.38 -32.8 62.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 110.851 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -77.45 -23.6 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 73.400000000000006 110.846 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.3 t-80 -82.25 1.36 37.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 110.847 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -85.56 -59.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 60.100000000000001 111.172 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -117.39 117.84 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 73.150000000000006 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -68.69 -42.32 77.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.409999999999997 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.21 -41.18 83.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 61.329999999999998 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 63' ' ' LEU . 45.3 mm -57.44 -21.62 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 51.149999999999999 111.153 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.67 -25.87 8.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.140000000000001 110.873 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.06 -53.64 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.4 -45.7 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.895 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.72 -38.7 15.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 71.010000000000005 110.896 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 23' ' ' THR . 51.8 t80 -53.75 -42.15 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -75.97 -39.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 30.7 mm -62.59 -34.49 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 111.152 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -29.09 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.239999999999995 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -70.62 -29.64 66.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.18 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mmm -83.58 -57.39 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -79.06 141.69 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 50.299999999999997 111.081 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.41 -76.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.895 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -55.05 -29.5 57.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 52.240000000000002 110.855 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' CG ' ' HB1' ' A' ' 25' ' ' ALA . 21.4 mmt180 -59.93 -25.95 65.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.866 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -50.95 -28.23 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.864 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.9 -32.23 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.902 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.63 -124.42 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 65.219999999999999 112.465 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -79.64 137.54 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.299 . . . . 73.439999999999998 110.935 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt -95.7 144.76 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 111.158 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -147.42 139.78 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.954 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -154.5 151.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 53.049999999999997 111.121 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 40.5 p -84.19 156.28 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.049999999999997 111.119 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.38 -47.99 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.52 -47.44 51.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 70.140000000000001 112.48 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -65.87 -50.86 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 71.209999999999994 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 51' ' ' VAL . 1.1 mt -53.83 -51.58 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.768 ' O ' HG13 ' A' ' 45' ' ' VAL . 29.3 t80 -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 64.040000000000006 110.86 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.91 -18.55 23.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 61.420000000000002 110.91 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -94.47 -34.47 12.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.519999999999996 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.675 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.76 -26.03 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.907 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 41' ' ' PHE . 26.4 m -56.29 -27.91 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 34.310000000000002 111.131 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -90.19 10.93 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.85 -71.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.310000000000002 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 -33.41 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.844 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.1 t0 68.78 64.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 63.149999999999999 110.878 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 60.109999999999999 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.72 -45.69 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 111.096 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' N ' HG13 ' A' ' 51' ' ' VAL . 52.9 t -54.07 -36.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 111.107 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.43 66.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 74.519999999999996 112.446 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.6 mt -76.72 -36.65 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 72.239999999999995 111.109 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 64' ' ' VAL . 46.1 mt -51.79 -30.99 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.872 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.4 mmm -56.77 -32.25 65.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.120000000000005 110.933 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -77.49 -41.09 40.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 110.896 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -69.19 -32.28 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.399999999999999 111.072 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.08 -27.84 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.843 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -51.69 -33.47 34.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.944 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -114.1 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.349999999999994 110.826 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.28 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 75.120000000000005 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.94 -26.31 8.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 54.43 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG11 HD22 ' A' ' 55' ' ' LEU . 5.4 m -114.26 117.4 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 60.409999999999997 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.627 ' CG ' HD11 ' A' ' 84' ' ' LEU . 2.1 t-160 -84.51 3.23 37.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.916 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.99 161.32 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.856 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.81 172.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 72.340000000000003 110.918 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.33 54.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 74.310000000000002 112.473 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -151.94 33.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 73.439999999999998 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.729 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.2 mmt 61.94 165.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 62.509999999999998 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 70' ' ' MET . 15.6 mt -127.48 121.78 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 55.439999999999998 110.937 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -100.47 128.14 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 110.904 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 122.93 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.5 -14.09 58.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 60.119999999999997 112.457 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -122.0 -55.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 61.420000000000002 110.925 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' HD22 ' A' ' 71' ' ' LEU . 10.4 m-20 -92.43 14.31 16.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.866 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.22 -26.46 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 60.399999999999999 110.839 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -17.69 59.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 63.200000000000003 110.823 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.724 HG21 HD22 ' A' ' 71' ' ' LEU . 84.9 t -55.68 112.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.439999999999998 111.145 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.4 t -87.52 113.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 62.520000000000003 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.1 108.91 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 63.409999999999997 111.113 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -101.28 112.44 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 70.310000000000002 111.087 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 63' ' ' LEU . 7.0 tp -48.55 105.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 54.030000000000001 110.945 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.627 HD11 ' CG ' ' A' ' 65' ' ' HIS . 51.9 mt -93.2 85.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 65.510000000000005 110.91 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.512 -0.235 . . . . 42.149999999999999 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.99 -73.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 64.040000000000006 111.117 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.4 mtt -124.35 175.21 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 75.010000000000005 110.875 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.24 -169.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 54.439999999999998 111.096 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -91.16 -31.47 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.875 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.62 33.75 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 70.549999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -54.36 -31.13 53.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 73.019999999999996 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.01 -27.52 54.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.030000000000001 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.49 1.55 37.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 62.32 110.828 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.599 HG22 ' CD2' ' A' ' 11' ' ' TYR . 44.9 mm -72.52 -40.18 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 70.140000000000001 111.154 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' HG22 ' A' ' 10' ' ' ILE . 25.5 m-85 -150.83 128.88 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 65.239999999999995 110.903 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -44.13 72.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.97 -38.82 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.857 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.0 mm -58.69 -22.55 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 70.329999999999998 111.104 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.7 mtp -52.6 -25.3 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -54.84 -54.23 45.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 61.049999999999997 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -47.84 10.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 73.420000000000002 110.892 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.28 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 61.530000000000001 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 16.1 t80 -53.98 -42.3 68.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.219999999999999 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.2 t -75.94 -39.96 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 111.11 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' A' ' 33' ' ' ILE . 22.4 mm -62.84 -36.67 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.509999999999998 111.134 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.51 -27.65 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.3 p -74.59 -32.32 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 61.229999999999997 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -51.65 10.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 62.009999999999998 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -85.63 148.85 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 61.409999999999997 111.07 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -114.97 -75.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 75.420000000000002 110.875 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -57.67 -25.95 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.209999999999994 110.832 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HG3' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mtt-85 -67.2 -26.87 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.109999999999999 110.892 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -51.64 -27.78 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.130000000000003 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -32.09 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.08 -121.73 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 71.450000000000003 112.482 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -78.59 130.51 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 54.539999999999999 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.9 mt -94.32 146.75 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 61.149999999999999 111.11 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -147.72 140.06 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD12 ' A' ' 21' ' ' ILE . 5.5 m -153.89 151.63 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.210000000000001 111.167 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 80' ' ' VAL . 11.3 p -85.72 154.83 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 111.13 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.09 -48.57 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.530000000000001 110.899 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.95 -47.21 54.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 74.120000000000005 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.2 -51.26 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 73.010000000000005 110.875 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.430000000000007 110.905 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.794 ' O ' HG13 ' A' ' 45' ' ' VAL . 32.8 t80 -58.93 -52.39 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.409999999999997 110.879 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG22 ' A' ' 45' ' ' VAL . 17.2 t70 -57.07 -19.4 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.95 -33.94 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.697 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -79.03 -26.17 43.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.549999999999997 110.9 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.794 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.0 m -56.16 -28.19 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.430000000000007 111.167 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -90.18 11.08 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 71.340000000000003 110.851 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -131.91 -71.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.138 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -126.82 -33.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.510000000000005 110.854 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.559 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.5 t0 68.91 64.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 110.832 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.86 36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.030000000000001 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.2 p -53.9 -45.55 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 44.219999999999999 111.111 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.0 t -53.69 -39.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 54.219999999999999 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.38 -33.21 84.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 52.039999999999999 112.491 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.6 mt -76.94 -33.96 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 71.310000000000002 111.161 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.87 HD22 HG11 ' A' ' 64' ' ' VAL . 44.8 mt -51.89 -30.98 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 70.310000000000002 110.914 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.0 mtm -59.5 -34.02 72.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.54 -55.09 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -59.32 -31.54 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.329999999999998 111.112 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -64.48 -27.69 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -51.73 -33.46 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 64.209999999999994 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -114.09 33.24 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.825 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.83 67.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 60.420000000000002 112.467 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.857 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.02 -26.98 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 71.349999999999994 110.951 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 55' ' ' LEU . 16.3 m -117.71 119.16 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 74.049999999999997 111.121 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -87.19 7.28 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 70.120000000000005 110.852 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 161.24 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.889 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.42 -173.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.98 -169.81 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 52.399999999999999 112.51 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 60.28 34.6 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 75.040000000000006 110.864 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.707 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.2 mmt 55.45 -176.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 71.109999999999999 110.892 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 79' ' ' VAL . 38.0 mt -131.56 124.35 29.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 110.9 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -91.32 125.1 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 120.95 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.049999999999997 110.915 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.98 -15.75 47.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 73.439999999999998 112.462 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -122.13 -49.77 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 72.109999999999999 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.43 14.25 21.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 72.310000000000002 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.56 -26.35 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -71.9 -18.66 62.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.409999999999997 110.857 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.758 HG21 HD22 ' A' ' 71' ' ' LEU . 96.1 t -55.71 114.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 36' ' ' THR . 74.5 t -90.86 117.43 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 55.340000000000003 111.176 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.05 109.37 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.168 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -101.71 112.49 25.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 62.329999999999998 111.13 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.39 105.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 64.430000000000007 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 65' ' ' HIS . 51.9 mt -93.32 85.63 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.95 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HG2' HD23 ' A' ' 63' ' ' LEU . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.932 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.453 -0.259 . . . . 53.210000000000001 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.18 -175.12 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.334 . . . . 60.399999999999999 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.3 mtp 52.36 38.13 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 61.200000000000003 110.865 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.85 -169.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 34.439999999999998 111.104 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.87 -35.03 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.845 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 9' ' ' HIS . . . 51.81 34.6 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 63.229999999999997 111.099 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -53.8 -32.56 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 110.934 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.35 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 110.895 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.502 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 28.9 t-80 -82.04 0.43 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.898 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 11' ' ' TYR . 45.6 mm -72.23 -52.49 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 64.209999999999994 111.132 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD2' HG22 ' A' ' 10' ' ' ILE . 47.6 m-85 -132.21 125.8 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 75.140000000000001 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -69.19 -43.47 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.54 -39.0 78.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.972 HD12 HD13 ' A' ' 63' ' ' LEU . 27.8 mm -56.0 -21.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 64.239999999999995 111.138 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptm -47.8 -30.07 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.876 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.16 -50.84 70.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.43 -50.39 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 65.430000000000007 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.2 t -47.61 -37.04 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.140000000000001 110.912 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 16.7 t80 -55.42 -42.57 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 70.409999999999997 110.862 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 44' ' ' TYR . 82.9 t -75.87 -36.77 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 55.340000000000003 111.153 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' CD1' HD21 ' A' ' 40' ' ' LEU . 33.9 mm -66.47 -34.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.319999999999993 111.111 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -65.97 -29.12 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.2 p -69.49 -34.15 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 111.173 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.652 ' HE3' HG11 ' A' ' 35' ' ' VAL . 31.7 mtm -79.84 -57.01 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -79.34 138.36 37.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.414 . . . . 71.430000000000007 111.064 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -111.23 -75.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.120000000000005 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -31.46 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.099999999999994 110.826 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 23.6 mmt180 -54.74 -26.94 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 65.230000000000004 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -51.55 -27.56 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.519999999999996 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.09 -32.17 71.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.47 -116.58 1.38 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 70.340000000000003 112.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -90.86 138.59 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 71.200000000000003 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.1 mt -93.76 140.52 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 111.166 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -145.84 140.4 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 71.219999999999999 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.3 m -154.66 151.06 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 HG22 ' A' ' 80' ' ' VAL . 11.7 p -82.92 159.08 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 44.439999999999998 111.116 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.23 -45.71 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.399999999999999 110.88 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.96 -45.98 50.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 75.400000000000006 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.47 -49.13 57.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 63.200000000000003 110.861 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -54.87 -43.72 73.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.010000000000005 110.901 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.782 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.7 t80 -66.99 -53.06 35.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 73.299999999999997 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -59.2 -17.05 24.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 61.43 110.892 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -94.25 -35.62 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 110.859 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.95 -26.08 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.230000000000004 110.89 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.25 -27.89 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 71.200000000000003 111.146 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -89.67 10.69 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.76 -71.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.200000000000003 111.096 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.36 -32.54 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t0 68.54 62.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.14 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.340000000000003 110.881 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 40' ' ' LEU . 4.3 p -53.43 -45.49 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' HG13 ' A' ' 51' ' ' VAL . 54.7 t -55.47 -35.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.230000000000004 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -31.82 66.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 50.140000000000001 112.493 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.93 -34.07 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 70.299999999999997 111.141 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 HG11 ' A' ' 64' ' ' VAL . 45.4 mt -51.74 -32.55 31.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 71.430000000000007 110.872 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.2 mtt -55.63 -31.21 62.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 110.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -73.49 -48.22 35.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 61.32 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.981 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.75 -29.73 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.5 111.135 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -64.72 -27.84 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 61.240000000000002 110.876 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -52.01 -35.5 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -108.06 23.47 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.95 66.96 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 45.409999999999997 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.981 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.5 tt -114.02 -17.03 12.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 63.219999999999999 110.865 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 55' ' ' LEU . 3.7 m -112.84 116.79 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 111.099 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.6 t-160 -83.69 2.08 39.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.852 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -53.52 161.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.23 158.74 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.200000000000003 110.914 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 163.99 38.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 43.229999999999997 112.499 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.03 -15.74 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.010000000000005 110.886 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.719 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -164.7 170.04 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 64.5 110.868 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 79' ' ' VAL . 15.7 mt -127.57 122.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.902 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -96.15 130.47 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.150000000000006 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.9 123.58 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 75.25 110.893 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.78 -3.14 87.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 62.240000000000002 112.535 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -122.22 -37.07 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 74.430000000000007 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m-20 -117.44 14.49 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.68 -26.24 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.319999999999993 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -72.17 -20.89 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.861 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 71' ' ' LEU . 94.0 t -55.6 112.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.096 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 36' ' ' THR . 77.2 t -90.1 111.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.4 109.17 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 72.340000000000003 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.96 111.71 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 111.096 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.58 105.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.019999999999996 110.953 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.2 88.69 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 65.129999999999995 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 62.149999999999999 110.88 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 63.350000000000001 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.51 -64.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 75.420000000000002 111.12 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtm -121.46 88.93 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.549999999999997 110.866 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.46 -169.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 54.439999999999998 111.073 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -90.18 -38.72 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.61 40.37 27.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 111.102 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -56.0 -32.26 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.856 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -25.75 50.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -82.28 1.11 38.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.540000000000006 110.896 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 11' ' ' TYR . 42.0 mm -75.46 -56.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 65.129999999999995 111.11 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.653 ' CD2' HG22 ' A' ' 10' ' ' ILE . 53.9 m-85 -132.33 129.56 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -68.5 -43.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.049999999999997 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -57.15 -39.67 75.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 54.420000000000002 110.911 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' HG ' ' A' ' 63' ' ' LEU . 39.1 mm -58.49 -25.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.200000000000003 111.171 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.9 mtp -53.13 -25.09 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 60.140000000000001 110.873 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -54.74 -53.36 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.876 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.23 -45.3 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.010000000000005 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.93 -38.61 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 62.009999999999998 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 23' ' ' THR . 49.7 t80 -54.15 -42.08 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.129999999999995 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.8 t -75.85 -36.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.409999999999997 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.634 ' CD1' HD21 ' A' ' 40' ' ' LEU . 25.4 mm -66.27 -35.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.540000000000006 111.096 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -27.13 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 63.030000000000001 110.871 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.9 p -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 75.209999999999994 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.657 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.9 mtm -85.38 -57.3 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.855 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -77.42 149.42 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 44.140000000000001 111.093 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.19 -75.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.918 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -54.75 -25.51 28.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.898 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 8.6 mpt_? -54.05 -27.13 30.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -51.59 -28.42 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.43 -32.13 72.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.319999999999993 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.68 -118.39 0.91 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 70.140000000000001 112.461 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -83.65 153.15 24.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 71.409999999999997 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG21 HG22 ' A' ' 21' ' ' ILE . 2.4 mt -109.89 146.33 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 111.109 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.68 140.2 24.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 70.030000000000001 110.915 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.0 m -153.93 151.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 50.030000000000001 111.084 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 80' ' ' VAL . 22.7 p -82.98 156.52 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.127 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.48 -46.18 80.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.99 -46.45 50.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 60.299999999999997 112.483 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.4 -49.19 61.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -54.29 -46.86 72.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 110.848 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 45' ' ' VAL . 30.0 t80 -64.32 -53.29 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 70.109999999999999 110.917 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.53 -17.96 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 73.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -94.13 -35.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.844 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.669 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.81 -26.27 44.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.340000000000003 110.928 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.7 m -56.28 -27.81 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 71.329999999999998 111.124 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -89.7 10.66 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mt -131.76 -71.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.866 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD1' HG12 ' A' ' 45' ' ' VAL . 14.9 t0 68.52 62.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.861 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.299999999999997 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.57 -45.49 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 72.5 111.137 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.3 t -55.63 -35.44 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 55.030000000000001 111.158 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.99 -31.34 66.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.735 -0.745 . . . . 51.310000000000002 112.514 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.78 -36.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 74.25 111.117 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.883 HD22 HG11 ' A' ' 64' ' ' VAL . 44.3 mt -51.77 -31.01 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 61.119999999999997 110.889 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.64 -30.43 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -79.04 -54.13 6.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 63.240000000000002 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -57.78 -32.92 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 55.140000000000001 111.094 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -64.56 -27.88 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -51.9 -33.45 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 54.130000000000003 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -114.0 32.75 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 110.876 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.97 67.74 1.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 65.519999999999996 112.497 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.06 -25.33 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 63.32 110.891 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.883 HG11 HD22 ' A' ' 55' ' ' LEU . 13.4 m -117.34 116.94 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.646 ' CG ' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -84.85 3.7 36.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.878 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.72 161.23 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.030000000000001 110.879 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.87 -173.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 52.030000000000001 110.881 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.59 -170.96 24.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 71.420000000000002 112.495 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 62.05 28.69 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 72.239999999999995 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.728 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.7 mtt 59.25 -175.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 72.540000000000006 110.897 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.731 HD22 HG21 ' A' ' 79' ' ' VAL . 25.1 mt -129.65 121.97 28.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.010000000000005 110.897 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.23 131.36 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.140000000000001 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.01 117.69 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.430000000000007 110.947 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.26 -13.99 47.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 43.100000000000001 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -122.03 -40.84 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 61.240000000000002 110.924 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.1 14.36 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 72.209999999999994 110.849 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.32 -26.41 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 54.549999999999997 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -75.73 -17.55 59.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 61.140000000000001 110.88 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.731 HG21 HD22 ' A' ' 71' ' ' LEU . 89.4 t -55.77 114.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.420000000000002 111.11 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 36' ' ' THR . 73.5 t -89.29 115.37 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 111.106 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.66 109.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 62.299999999999997 111.1 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 43.140000000000001 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -48.16 105.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.94 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 65' ' ' HIS . 30.8 mt -94.17 85.43 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.936 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.626 ' HG2' HD23 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.475 -0.25 . . . . 63.32 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.06 -176.46 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 64.109999999999999 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mtm -53.86 157.37 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.914 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.79 -169.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 65.430000000000007 111.138 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -91.51 -33.62 15.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 72.209999999999994 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.82 34.86 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 43.200000000000003 111.092 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.33 -32.5 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.19 -22.82 51.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -82.15 0.97 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 63.399999999999999 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.581 HG22 ' CD2' ' A' ' 11' ' ' TYR . 45.1 mm -75.18 -43.27 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.125 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' HG22 ' A' ' 10' ' ' ILE . 28.5 m-85 -144.72 127.73 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 73.120000000000005 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -44.02 75.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 52.119999999999997 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -41.21 84.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.889 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.81 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.3 mm -57.87 -21.44 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 111.146 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttt -52.35 -25.52 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 62.25 110.874 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.89 -54.06 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 72.519999999999996 110.869 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -48.32 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 60.520000000000003 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.3 t -48.09 -34.81 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' THR . 16.6 t80 -58.07 -41.86 84.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 64.549999999999997 110.854 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.694 HG11 ' CE1' ' A' ' 44' ' ' TYR . 78.5 t -76.73 -33.58 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 111.093 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.659 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.0 mm -70.31 -35.83 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 53.399999999999999 111.14 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -20.28 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 72.150000000000006 110.899 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -79.26 -23.24 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.239999999999995 111.178 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.51 -53.44 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 65.400000000000006 110.937 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -90.15 153.86 20.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.66 61.37 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.150000000000006 110.89 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.63 -23.96 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 44.350000000000001 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -38.75 31.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 110.934 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.13 -2.2 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.549999999999997 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.73 16.05 24.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.26 -103.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.494 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -67.26 153.19 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.323 . . . . 73.230000000000004 110.898 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.692 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -106.84 136.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 55.109999999999999 111.142 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -146.87 139.44 24.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 110.921 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -154.35 151.57 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 71.430000000000007 111.143 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -84.54 154.94 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.040000000000006 111.166 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.5 -49.42 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.849 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.9 -47.53 53.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 41.439999999999998 112.462 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.35 -51.12 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 72.439999999999998 110.89 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.79 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 65.409999999999997 110.881 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 35.7 t80 -58.8 -51.19 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.874 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.03 -18.83 26.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.549999999999997 110.845 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -93.77 -34.51 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.694 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.75 -26.75 44.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 64.030000000000001 110.936 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.33 -27.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.519999999999996 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.48 10.95 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.120000000000005 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.9 mt -132.14 -71.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 -34.08 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 69.13 64.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.329999999999998 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.5 35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.200000000000003 110.876 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.3 p -53.99 -45.73 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 64.299999999999997 111.148 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' A' ' 55' ' ' LEU . 74.0 t -53.87 -35.07 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.66 65.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 63.210000000000001 112.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -77.01 -32.77 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 73.209999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.0 mt -51.56 -33.35 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.150000000000006 110.896 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.46 -36.3 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.882 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -67.31 -49.56 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 62.310000000000002 110.846 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -64.88 -30.03 71.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 111.144 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -64.96 -27.75 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.824 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -51.74 -33.34 34.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 65.209999999999994 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -114.14 33.12 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 110.848 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.32 67.44 1.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 70.340000000000003 112.516 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.0 -25.4 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 61.340000000000003 110.906 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG11 HD22 ' A' ' 55' ' ' LEU . 22.8 m -114.52 123.14 69.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.138 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.656 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.06 13.2 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.846 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -65.23 161.12 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.530000000000001 110.89 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -60.86 -174.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.409999999999997 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.77 65.86 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 74.310000000000002 112.476 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -151.83 32.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mtt 65.96 147.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 44.350000000000001 110.876 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HG11 ' A' ' 79' ' ' VAL . 1.2 mp -112.3 122.24 47.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.349999999999994 110.901 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -114.78 127.02 55.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.963 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 124.02 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 61.229999999999997 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.99 -5.69 78.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 75.109999999999999 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -122.13 -55.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 75.120000000000005 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 71' ' ' LEU . 5.0 m-20 -95.54 14.27 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.19 -26.44 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.109999999999999 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -72.51 -19.08 61.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 71' ' ' LEU . 68.8 t -55.61 115.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 111.105 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -92.31 111.0 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 71.549999999999997 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.04 109.6 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.152 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -104.94 112.27 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 74.129999999999995 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 33' ' ' ILE . 6.6 tp -48.25 105.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.929 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.656 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -93.31 85.32 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 63' ' ' LEU . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.882 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.462 -0.255 . . . . 64.5 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.36 177.93 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 72.450000000000003 111.083 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.4 mtt -64.04 129.14 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 63.299999999999997 110.885 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.19 -169.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 64.329999999999998 111.07 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -89.38 -31.63 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.831 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.86 33.44 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 61.210000000000001 111.088 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -33.0 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 72.129999999999995 110.883 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.45 -23.14 50.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.109999999999999 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.07 0.77 39.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.409999999999997 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.4 mm -76.5 -29.1 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 63.299999999999997 111.1 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -154.47 126.58 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.519999999999996 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -43.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.129999999999995 110.868 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.76 -41.88 82.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.981 HD12 HD13 ' A' ' 63' ' ' LEU . 32.3 mm -55.54 -22.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 52.109999999999999 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpp -47.84 -30.42 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.848 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -55.91 -51.38 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 61.420000000000002 110.92 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.26 -50.56 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 72.549999999999997 110.932 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.77 -34.41 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 45.539999999999999 110.883 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 23' ' ' THR . 14.4 t80 -56.96 -43.79 81.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.686 HG11 ' CE1' ' A' ' 44' ' ' TYR . 64.2 t -76.0 -40.85 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 61.439999999999998 111.078 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.687 HG22 ' CG2' ' A' ' 33' ' ' ILE . 27.4 mm -63.54 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 73.530000000000001 111.093 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -67.01 -23.4 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 19' ' ' PHE . 4.9 p -79.17 -27.68 42.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 61.340000000000003 111.146 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mmt -86.04 -48.48 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.904 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.686 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -99.1 157.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.113 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -102.04 65.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 110.875 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -53.47 -23.84 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 110.84 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -49.33 -39.47 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.25 110.856 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.19 -1.97 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.519999999999996 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -106.73 18.4 21.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.891 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.94 -103.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 53.340000000000003 112.441 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 153.11 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 72.5 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -101.45 135.31 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 111.153 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.7 mp0 -146.07 139.71 26.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 75.540000000000006 110.937 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.9 m -155.77 146.57 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 54.219999999999999 111.151 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 80' ' ' VAL . 3.7 p -80.76 155.01 26.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 111.173 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.65 -49.4 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.904 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.61 -47.45 52.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 64.450000000000003 112.525 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -65.79 -51.04 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 73.109999999999999 110.903 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.677 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.91 -51.45 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.66 -51.26 70.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.936 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -58.56 -18.33 28.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 110.906 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 HH21 HD11 ' A' ' 47' ' ' ILE . 2.3 tpt180 -94.25 -34.12 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.530000000000001 110.864 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.686 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.79 -26.32 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 110.878 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.5 m -56.37 -27.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.200000000000003 111.161 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -90.7 10.7 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 70.030000000000001 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.417 HD11 HH21 ' A' ' 43' ' ' ARG . 64.0 mt -131.75 -71.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 111.191 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -33.61 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 65.109999999999999 110.861 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.678 ' OD1' HG12 ' A' ' 45' ' ' VAL . 23.3 t0 69.04 63.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.210000000000001 110.913 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.83 36.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.540000000000006 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 40' ' ' LEU . 4.5 p -54.25 -45.5 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 111.144 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.452 ' N ' HG13 ' A' ' 51' ' ' VAL . 62.6 t -53.87 -36.05 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.174 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.35 69.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 63.299999999999997 112.505 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 51' ' ' VAL . 11.7 mt -77.06 -32.3 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 74.109999999999999 111.124 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -51.81 -31.5 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 44.210000000000001 110.874 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.8 mtp -58.72 -33.77 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.420000000000002 110.91 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -68.33 -51.53 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 54.210000000000001 110.883 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -63.45 -30.87 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.11 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.19 -27.6 69.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.340000000000003 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -30.81 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.33 23.69 13.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.839 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 65.75 3.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 72.510000000000005 112.503 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.06 -18.23 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 70.530000000000001 110.894 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 63' ' ' LEU . 3.8 m -112.97 116.74 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.200000000000003 111.121 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.569 ' HB2' HD11 ' A' ' 84' ' ' LEU . 5.1 t-160 -82.12 0.29 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 110.89 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.16 161.27 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -54.65 175.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 63.030000000000001 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.37 52.08 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.520000000000003 112.507 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -152.0 33.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.907 0.385 . . . . 74.239999999999995 110.876 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.694 ' O ' HD23 ' A' ' 71' ' ' LEU . 40.6 mmm 63.37 161.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 71.530000000000001 110.852 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 79' ' ' VAL . 8.0 mt -125.84 121.85 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.918 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -93.07 121.51 34.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 61.340000000000003 110.865 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.95 125.16 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.420000000000002 110.957 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.52 -9.98 74.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 41.340000000000003 112.505 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -122.18 -55.06 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.323 . . . . 74.150000000000006 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.4 m-20 -92.19 14.24 16.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 75.329999999999998 110.893 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.58 -26.23 61.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.540000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -21.57 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.865 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.79 HG21 HD22 ' A' ' 71' ' ' LEU . 90.9 t -55.57 114.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 61.030000000000001 111.113 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 36' ' ' THR . 88.8 t -93.31 120.13 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.239999999999995 111.127 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.84 109.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.135 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.69 111.86 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 71.200000000000003 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 33' ' ' ILE . 5.7 tp -49.1 105.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 110.916 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.3 mt -93.59 85.62 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 64.400000000000006 110.897 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.939 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 30.440000000000001 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.49 -45.92 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 63.329999999999998 111.07 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -178.53 156.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.040000000000006 110.897 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.3 -169.91 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 74.430000000000007 111.102 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -90.31 -30.54 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.78 32.53 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 71.530000000000001 111.12 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -32.71 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -22.64 50.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.349999999999994 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -81.43 0.11 39.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 72.129999999999995 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 11' ' ' TYR . 40.4 mm -75.59 -46.06 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 111.113 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.458 ' CD2' HG22 ' A' ' 10' ' ' ILE . 34.1 m-85 -137.95 126.05 22.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 55.140000000000001 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -45.25 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.71 -39.11 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 62.229999999999997 110.866 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.798 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.4 mm -57.25 -22.58 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 70.430000000000007 111.14 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -50.99 -26.09 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.109999999999999 110.909 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.83 -54.6 40.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 73.549999999999997 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -47.37 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.519999999999996 110.926 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -47.57 -38.07 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.319999999999993 110.844 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 23' ' ' THR . 44.0 t80 -53.9 -42.89 69.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.8 t -75.99 -41.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 55.020000000000003 111.088 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.664 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.6 mm -62.82 -29.94 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.409999999999997 111.171 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.9 p -76.35 -22.83 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.13 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.94 -48.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 71.349999999999994 110.896 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -97.14 151.49 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 111.097 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -96.83 65.47 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.87 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -53.41 -23.88 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.430000000000007 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -49.36 -39.33 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.852 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.17 -2.03 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.71 17.22 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.209999999999994 110.865 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.96 -103.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 41.310000000000002 112.499 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -71.2 153.09 42.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 74.420000000000002 110.936 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.68 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -101.34 136.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.132 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.2 mp0 -146.79 139.45 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.8 m -156.07 151.08 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 80' ' ' VAL . 18.7 p -85.27 155.55 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 60.439999999999998 111.143 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -49.26 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 73.219999999999999 110.912 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.85 -47.25 53.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 62.039999999999999 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.93 -51.34 59.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 73.5 110.817 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.93 -50.31 66.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 52.240000000000002 110.929 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.8 t80 -59.44 -51.43 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.13 -18.61 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.25 110.851 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -93.96 -34.69 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.889 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.68 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.75 -26.59 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 65.219999999999999 110.906 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.3 m -56.2 -27.9 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.430000000000007 111.118 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -90.39 10.93 23.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.879 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.87 -71.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.146 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -126.22 -33.5 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.817 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.9 t0 68.89 65.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.862 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.98 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 110.897 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.626 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.2 p -53.88 -45.79 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.1 t -54.69 -35.31 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 33.020000000000003 111.13 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.08 -32.39 65.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 63.109999999999999 112.521 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -76.92 -34.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 73.120000000000005 111.111 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 HG11 ' A' ' 64' ' ' VAL . 42.8 mt -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.28 -32.49 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 51.420000000000002 110.923 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -74.33 -50.76 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.140000000000001 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.57 -31.99 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 52.409999999999997 111.068 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.02 -27.84 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.5 110.896 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.9 -33.5 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -114.06 32.67 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 62.200000000000003 110.854 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 68.13 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 71.420000000000002 112.463 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.04 -26.87 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.340000000000003 110.934 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.753 HG11 HD22 ' A' ' 55' ' ' LEU . 7.9 m -114.19 119.93 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 52.219999999999999 111.139 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.673 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -85.38 -0.1 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 110.862 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.84 161.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.924 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.75 160.81 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.899 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.4 160.21 35.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 45.210000000000001 112.489 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.67 -16.83 55.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 53.340000000000003 110.904 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.679 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.9 ptp -165.36 169.33 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 64.430000000000007 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 79' ' ' VAL . 18.6 mt -127.61 121.94 31.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 72.219999999999999 110.932 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -92.83 126.31 37.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.26 130.49 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.903 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.32 -1.99 83.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 63.329999999999998 112.513 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -122.15 -54.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 72.010000000000005 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.5 m-20 -98.63 14.44 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.319999999999993 110.837 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.6 -26.4 55.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 44.520000000000003 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -70.63 -21.08 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.751 HG21 HD22 ' A' ' 71' ' ' LEU . 97.6 t -55.64 114.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 111.128 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 36' ' ' THR . 77.6 t -90.24 122.75 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.219999999999999 111.12 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.14 109.55 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 61.240000000000002 111.125 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.566 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -104.02 111.69 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.615 HD22 HD12 ' A' ' 33' ' ' ILE . 6.1 tp -49.18 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.8 mt -95.31 85.2 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 61.119999999999997 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.030000000000001 110.877 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.48 -0.248 . . . . 52.310000000000002 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.93 -175.85 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 62.039999999999999 111.12 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.2 mtm -57.69 -26.14 61.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.86 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.47 -169.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.329999999999998 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -91.0 -34.91 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.019999999999996 110.848 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.77 35.21 14.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 111.082 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -33.23 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.883 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -77.44 -25.43 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.400000000000006 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -77.38 -4.3 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.150000000000006 110.847 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 11' ' ' TYR . 41.2 mm -71.13 -41.59 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.019999999999996 111.11 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CD2' HG22 ' A' ' 10' ' ' ILE . 39.0 m-85 -139.48 126.69 21.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 71.439999999999998 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -44.85 71.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 75.540000000000006 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.93 -39.46 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 61.450000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.987 HD12 HD13 ' A' ' 63' ' ' LEU . 27.3 mm -56.36 -22.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 53.25 111.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.6 mtp -48.0 -30.25 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.040000000000006 110.845 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.69 -51.17 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.329999999999998 110.87 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -50.24 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.200000000000003 110.897 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -48.14 -33.33 8.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.864 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 23' ' ' THR . 14.3 t80 -59.03 -42.39 90.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.899 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 69.7 t -77.32 -34.05 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 65.25 111.147 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.673 ' CD1' HD21 ' A' ' 40' ' ' LEU . 31.7 mm -69.94 -36.55 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 35.450000000000003 111.142 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -20.34 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.450000000000003 110.865 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.2 p -79.52 -30.26 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.509999999999998 111.162 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -53.21 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 65.049999999999997 110.873 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.697 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -93.17 152.93 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 61.299999999999997 111.083 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.79 62.33 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.887 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -53.65 -23.93 12.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.430000000000007 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -38.75 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.310000000000002 110.819 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -127.09 -2.29 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.209999999999994 110.901 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.71 16.53 24.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.13 -103.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 73.310000000000002 112.443 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -68.07 153.2 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 71.439999999999998 110.868 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.697 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -106.3 136.68 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 111.119 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.2 mp0 -146.64 139.66 25.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 34' ' ' GLN . 2.6 m -156.45 148.5 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 52.009999999999998 111.138 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 80' ' ' VAL . 15.8 p -82.25 156.57 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -53.32 -48.73 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 74.230000000000004 110.844 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.4 -47.72 50.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 62.140000000000001 112.459 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.61 -51.11 62.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 75.310000000000002 110.867 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.3 mt -53.79 -52.23 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 72.329999999999998 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.774 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.9 t80 -58.1 -51.32 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 110.875 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.9 -18.83 25.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 71.420000000000002 110.871 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -94.2 -34.38 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.883 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.76 -26.3 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.908 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.774 HG13 ' O ' ' A' ' 41' ' ' PHE . 28.1 m -56.28 -27.71 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.549999999999997 111.076 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -90.65 11.0 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.430000000000007 110.896 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.1 mt -132.0 -71.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 53.119999999999997 111.13 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.59 -33.62 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.030000000000001 110.887 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' HG12 ' A' ' 45' ' ' VAL . 8.2 t0 68.79 64.19 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 62.130000000000003 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 65.430000000000007 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.95 -45.64 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 111.096 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.8 t -53.92 -36.04 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.093 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.16 -32.21 65.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 52.25 112.478 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.98 -33.6 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 72.349999999999994 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG11 ' A' ' 64' ' ' VAL . 54.1 mt -51.72 -32.67 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.95 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 mtp -56.71 -33.05 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 110.928 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -70.17 -46.86 63.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.845 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -66.84 -30.51 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 74.329999999999998 111.098 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.13 -27.59 69.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -52.58 -29.81 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -113.99 23.75 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.010000000000005 110.851 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.92 66.35 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 71.409999999999997 112.484 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 14' ' ' ILE . 1.5 tt -114.01 -17.59 11.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 72.209999999999994 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 63' ' ' LEU . 3.4 m -112.61 116.7 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.329999999999998 111.076 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.7 t-160 -83.25 1.62 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.9 161.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.510000000000005 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.58 158.95 20.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.420000000000002 110.886 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.72 160.78 30.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.019999999999996 112.472 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.22 -16.1 55.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 64.239999999999995 110.929 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.734 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -162.54 169.08 20.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 63.109999999999999 110.936 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 79' ' ' VAL . 16.0 mt -128.11 121.9 30.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 61.219999999999999 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -93.9 127.21 39.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 70.299999999999997 110.952 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -52.73 130.11 31.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 53.350000000000001 110.927 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.61 -2.12 83.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 74.129999999999995 112.483 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -122.12 -55.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 70.099999999999994 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -97.79 14.44 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 110.865 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -26.35 53.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 70.010000000000005 110.835 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.030000000000001 110.817 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 71' ' ' LEU . 98.6 t -55.59 114.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.125 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 36' ' ' THR . 90.0 t -92.16 115.66 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 62.509999999999998 111.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.13 109.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.530000000000001 111.152 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -105.98 111.69 24.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.549999999999997 111.097 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 6.0 tp -48.59 105.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 61.340000000000003 110.897 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 65' ' ' HIS . 57.7 mt -92.83 85.87 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 63.399999999999999 110.908 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 71.510000000000005 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.39 174.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 73.439999999999998 111.094 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.3 mtt 57.9 50.37 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 64.109999999999999 110.871 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.08 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 64.420000000000002 111.096 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -88.96 -36.92 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 110.882 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.67 34.15 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 62.119999999999997 111.109 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -55.75 -31.21 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 72.540000000000006 110.908 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -22.99 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.856 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -82.32 0.65 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.239999999999995 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.684 HG22 ' CD2' ' A' ' 11' ' ' TYR . 37.4 mm -79.97 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 65.530000000000001 111.129 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.684 ' CD2' HG22 ' A' ' 10' ' ' ILE . 50.2 m-85 -132.73 120.7 22.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.955 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -68.94 -43.85 74.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.67 -35.7 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.829 HD12 ' HG ' ' A' ' 63' ' ' LEU . 34.1 mm -57.05 -19.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.209999999999994 111.136 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -25.31 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.913 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -55.07 -57.62 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 110.905 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -46.06 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.951 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.0 t -47.96 -39.03 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 62.210000000000001 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' THR . 18.3 t80 -53.9 -41.86 68.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 64.400000000000006 110.83 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.664 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 94.3 t -76.09 -37.48 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.181 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.611 ' CD1' HD21 ' A' ' 40' ' ' LEU . 24.9 mm -65.42 -35.37 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 111.155 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -64.93 -28.51 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 62.310000000000002 110.878 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.7 p -70.83 -37.84 73.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 111.111 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.8 mmm -75.57 -57.68 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 74.109999999999999 110.85 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 28' ' ' ARG . . . -78.19 142.93 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 62.130000000000003 111.103 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -113.75 -75.86 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.530000000000001 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -26.8 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 70.150000000000006 110.881 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 7.1 mmt85 -54.87 -26.29 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.319999999999993 110.833 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.03 -27.08 7.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 71.519999999999996 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -61.12 -32.13 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 64.349999999999994 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.05 -120.59 0.94 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 72.129999999999995 112.517 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.78 153.29 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 74.120000000000005 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.611 HG21 HG22 ' A' ' 21' ' ' ILE . 2.5 mt -112.3 146.81 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 63.039999999999999 111.146 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -148.97 140.51 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.009999999999998 110.86 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 21' ' ' ILE . 4.9 m -153.48 150.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 41.100000000000001 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 80' ' ' VAL . 15.0 p -82.56 158.07 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 71.340000000000003 111.132 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -55.97 -50.33 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.864 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.91 -48.1 46.12 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 74.230000000000004 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.92 -51.04 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 75.209999999999994 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -53.93 -53.71 48.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.400000000000006 110.917 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.769 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.0 t80 -57.05 -50.17 73.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.886 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -57.91 -18.32 22.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.894 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -95.34 -34.27 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.87 -24.97 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.510000000000005 110.871 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 41' ' ' PHE . 22.6 m -56.22 -27.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.240000000000002 111.115 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -89.75 10.75 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 62.420000000000002 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.8 mt -131.83 -71.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -32.33 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 61.229999999999997 110.876 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' OD2' HG12 ' A' ' 45' ' ' VAL . 7.6 t0 68.42 60.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 63.219999999999999 110.85 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 40.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.4 p -53.51 -45.11 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 64.319999999999993 111.173 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' N ' HG13 ' A' ' 51' ' ' VAL . 74.5 t -53.58 -42.23 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 111.15 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.59 -31.09 78.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 63.439999999999998 112.451 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 51' ' ' VAL . 6.5 mt -76.59 -34.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 73.25 111.16 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.932 HD22 HG11 ' A' ' 64' ' ' VAL . 49.6 mt -52.0 -30.97 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.140000000000001 110.891 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.010000000000005 110.922 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -76.98 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 70.120000000000005 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.97 -30.34 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 111.105 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 64' ' ' VAL . 33.3 ttp85 -65.73 -27.78 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.851 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -51.87 -32.26 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -114.1 32.17 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.150000000000006 110.858 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.91 66.79 2.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 53.109999999999999 112.461 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.829 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.03 -25.35 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 65.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.932 HG11 HD22 ' A' ' 55' ' ' LEU . 15.6 m -118.03 117.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 111.134 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.648 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.2 t-160 -83.95 2.57 38.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.897 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 161.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -55.15 176.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.409999999999997 110.913 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.09 54.93 0.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 62.299999999999997 112.505 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -151.83 33.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 65.519999999999996 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.748 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.6 mtt 63.0 162.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 74.239999999999995 110.905 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.783 HD22 HG21 ' A' ' 79' ' ' VAL . 11.6 mt -127.7 121.8 31.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 64.310000000000002 110.915 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -91.28 121.13 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 74.310000000000002 110.913 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 127.69 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 62.039999999999999 110.908 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -7.74 81.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 72.319999999999993 112.477 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -122.28 -54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 71.230000000000004 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 79' ' ' VAL . 4.2 m-20 -93.23 14.39 18.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 74.349999999999994 110.867 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.12 -26.12 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -20.77 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.540000000000006 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 HD22 ' A' ' 71' ' ' LEU . 78.6 t -55.48 114.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.349999999999994 111.125 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.503 HG22 HG22 ' A' ' 36' ' ' THR . 70.5 t -93.55 114.87 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 62.219999999999999 111.091 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.66 109.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -102.8 111.51 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.020000000000003 111.142 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 63' ' ' LEU . 7.5 tp -49.39 105.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.866 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 65' ' ' HIS . 26.9 mt -95.36 85.58 4.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 110.934 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 65.340000000000003 110.925 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 64.25 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.72 -58.97 2.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 62.200000000000003 111.125 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -165.5 75.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.430000000000007 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.59 -169.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.230000000000004 111.087 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -90.96 -42.35 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 110.855 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.65 44.3 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 72.5 111.073 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -59.09 -33.79 71.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -77.32 -22.42 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.049999999999997 110.894 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -81.2 0.62 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.030000000000001 110.861 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 85' ' ' GLU . 49.1 mt -85.77 -59.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.450000000000003 111.145 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -119.25 120.01 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.934 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -40.85 78.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 72.540000000000006 110.898 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.13 -38.89 80.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 54.049999999999997 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.1 mm -58.89 -22.13 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 72.340000000000003 111.132 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.4 mtt -52.97 -25.19 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 54.219999999999999 110.843 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.39 -53.42 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 72.329999999999998 110.925 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -46.84 12.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.450000000000003 110.925 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.22 -36.0 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.881 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' THR . 38.4 t80 -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.329999999999998 110.944 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' CE1' ' A' ' 44' ' ' TYR . 86.3 t -76.8 -32.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 73.219999999999999 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.614 HD12 HG21 ' A' ' 35' ' ' VAL . 25.9 mm -71.48 -35.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 111.139 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -65.61 -19.61 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.3 p -79.06 -24.78 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.219999999999999 111.141 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -91.11 -54.78 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB1' ' HG3' ' A' ' 28' ' ' ARG . . . -76.5 146.81 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.530000000000001 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -117.8 -76.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 110.863 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -57.28 -25.08 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.562 ' HG3' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mtt85 -63.82 -25.83 68.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -50.97 -27.94 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.867 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -32.23 71.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.891 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.63 -125.28 1.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 60.340000000000003 112.491 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -77.97 134.41 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 73.209999999999994 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.4 mt -92.16 146.88 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 72.019999999999996 111.131 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -147.51 139.86 24.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.86 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 21' ' ' ILE . 15.4 m -152.87 151.22 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 111.097 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.585 HG22 HG22 ' A' ' 80' ' ' VAL . 32.1 p -84.95 154.53 22.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 63.43 111.123 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -53.3 -47.47 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 62.399999999999999 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.89 -47.01 54.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 54.25 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -67.01 -51.16 58.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 72.5 110.864 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.1 mt -53.74 -50.02 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.530000000000001 110.947 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.7 t80 -60.51 -51.53 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.540000000000006 110.902 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -58.34 -18.34 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 71.140000000000001 110.876 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -93.3 -34.99 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.833 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.704 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.69 -27.4 45.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.945 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.2 m -56.23 -28.0 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 64.120000000000005 111.109 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -90.28 10.88 23.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.049999999999997 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mt -131.97 -71.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 111.128 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -126.92 -33.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 34.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 45' ' ' VAL . 9.5 t0 69.11 67.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 41.43 110.857 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.72 34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 61.240000000000002 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.588 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.0 p -53.87 -46.09 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 73.040000000000006 111.106 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.7 t -54.34 -34.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.230000000000004 111.147 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.05 -33.4 65.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 14.44 112.505 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.3 mt -77.0 -33.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.420000000000002 111.123 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -51.6 -31.79 26.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 64.25 110.885 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtt -60.59 -38.03 83.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.010000000000005 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.8 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 71.329999999999998 110.892 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -63.73 -29.2 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.209999999999994 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -27.8 69.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.859 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -51.83 -32.81 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -114.11 32.7 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.209999999999994 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.71 66.55 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 41.140000000000001 112.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.1 tm? -114.0 -23.75 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 71.230000000000004 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 55' ' ' LEU . 19.7 m -115.28 118.66 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 111.105 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.681 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -90.66 9.73 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.856 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.74 161.18 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -64.19 -173.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.17 -169.53 24.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 64.420000000000002 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 61.85 25.87 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 71.540000000000006 110.891 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.747 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.6 mtm 60.44 -174.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.9 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 70' ' ' MET . 27.7 mt -131.19 123.67 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 73.129999999999995 110.906 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -94.23 134.32 36.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.905 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.77 124.86 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.439999999999998 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.4 85.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 51.539999999999999 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -122.04 -36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 64.409999999999997 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.2 m-20 -119.24 14.34 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 65.310000000000002 110.843 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.38 -26.27 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 63.130000000000003 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -19.14 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 110.856 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.709 HG21 HD22 ' A' ' 71' ' ' LEU . 97.7 t -55.57 114.6 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 72.099999999999994 111.117 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 36' ' ' THR . 76.2 t -89.72 113.28 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 62.119999999999997 111.123 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.07 108.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.530000000000001 111.081 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -100.29 112.16 24.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 63.219999999999999 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 tp -48.07 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CG ' ' A' ' 65' ' ' HIS . 50.3 mt -89.85 85.56 6.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.958 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.439999999999998 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.458 -0.257 . . . . 64.230000000000004 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.94 -58.36 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 60.210000000000001 111.119 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -165.15 -178.14 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.44 -169.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 111.135 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -91.61 -49.94 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 74.129999999999995 110.849 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.46 56.46 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 63.020000000000003 111.088 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -30.26 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 110.874 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.15 57.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.509999999999998 110.9 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.704 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 1.7 m-70 -77.92 -3.93 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.25 110.874 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -84.61 -58.98 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.010000000000005 111.16 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -118.79 118.69 32.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.099999999999994 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.72 -40.56 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.823 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.85 -42.45 84.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.858 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.959 HD12 HD13 ' A' ' 63' ' ' LEU . 33.4 mm -56.22 -22.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.219999999999999 111.109 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ttm -48.52 -29.1 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 110.895 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.7 -51.3 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 55.240000000000002 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.32 -50.77 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 44.43 110.931 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.12 -37.89 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.909 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' THR . 19.2 t80 -54.16 -43.33 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.450000000000003 110.854 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 71.7 t -76.04 -40.08 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 111.113 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 33' ' ' ILE . 31.1 mm -63.65 -29.89 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.097 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -25.05 62.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 70.420000000000002 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -73.61 -44.65 56.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 111.161 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.4 mmm -76.26 -57.35 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.859 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -96.98 121.75 39.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.127 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.94 8.72 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.540000000000006 110.855 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.87 -22.58 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 65.519999999999996 110.868 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.634 ' HG3' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -50.43 -31.51 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 110.902 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.62 84.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 71.310000000000002 110.874 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.96 -32.38 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 64.430000000000007 110.872 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 166.9 -113.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 72.439999999999998 112.429 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -73.99 153.59 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 74.340000000000003 110.887 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' CG2' HG22 ' A' ' 21' ' ' ILE . 8.3 mt -105.76 152.15 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.151 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . 29.3 mp0 -150.25 139.86 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 61.530000000000001 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 25' ' ' ALA . 3.4 m -155.22 152.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 65.310000000000002 111.153 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 80' ' ' VAL . 19.2 p -85.18 153.85 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 63.539999999999999 111.201 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -52.77 -49.37 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 64.329999999999998 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.67 -47.22 52.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 70.219999999999999 112.47 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -66.43 -51.03 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.140000000000001 110.934 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -53.89 -50.34 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.933 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.807 ' O ' HG13 ' A' ' 45' ' ' VAL . 33.1 t80 -59.89 -52.11 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 45' ' ' VAL . 26.9 t70 -58.09 -17.54 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 51.32 110.881 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -93.07 -35.49 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.893 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -79.12 -25.56 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.914 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 41' ' ' PHE . 27.8 m -56.14 -28.24 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 64.040000000000006 111.13 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.57 10.17 21.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 70.420000000000002 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mt -131.66 -71.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -30.37 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.853 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' HG12 ' A' ' 45' ' ' VAL . 13.6 t0 68.22 60.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 65.409999999999997 110.911 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 110.881 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.1 p -52.94 -45.99 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 111.149 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 55' ' ' LEU . 55.2 t -54.88 -43.52 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 51.310000000000002 111.108 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.49 82.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 63.340000000000003 112.454 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 51' ' ' VAL . 4.9 mt -77.0 -35.47 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.219999999999999 111.146 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.1 mt -51.66 -30.94 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.340000000000003 110.878 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -39.56 72.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -63.49 -49.02 75.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.971 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -65.96 -30.48 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.219999999999999 111.122 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -27.31 68.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -52.47 -29.69 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.915 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -114.03 24.4 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.854 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.63 65.79 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 73.129999999999995 112.474 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.971 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 tt -114.03 -18.19 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 72.319999999999993 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 55' ' ' LEU . 4.7 m -109.21 119.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 111.12 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.667 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -87.86 7.81 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.893 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.85 161.19 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 64.439999999999998 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.68 -173.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.200000000000003 110.895 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.04 -175.73 24.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 55.450000000000003 112.461 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.24 35.66 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.382 . . . . 64.310000000000002 110.92 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.751 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.2 mmt 55.2 -175.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.771 HD22 HG21 ' A' ' 79' ' ' VAL . 16.6 mt -129.43 121.94 28.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 52.229999999999997 110.909 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -91.69 123.75 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.010000000000005 110.948 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 124.0 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 62.100000000000001 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.51 -17.36 53.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 53.310000000000002 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -122.17 -49.25 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 74.549999999999997 110.878 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.49 14.28 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 64.329999999999998 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.45 -26.38 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 63.409999999999997 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -18.61 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.771 HG21 HD22 ' A' ' 71' ' ' LEU . 96.0 t -55.65 114.82 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 36' ' ' THR . 80.4 t -91.25 112.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 50.539999999999999 111.171 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.21 109.33 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 111.115 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.57 HG23 HD21 ' A' ' 84' ' ' LEU . 1.7 t -103.85 113.09 26.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 111.158 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 tp -47.35 105.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD11 ' CG ' ' A' ' 65' ' ' HIS . 25.1 mt -96.48 95.0 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.866 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 62.32 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.18 134.94 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 72.349999999999994 111.121 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 mtt 58.05 33.84 23.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 74.340000000000003 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.34 -169.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 63.119999999999997 111.061 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -90.25 -38.38 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.875 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.36 36.0 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 54.020000000000003 111.146 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -54.96 -33.67 62.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.913 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.09 -22.66 52.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 64.040000000000006 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.74 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 22.4 m170 -82.36 2.53 31.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 74.219999999999999 110.857 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.4 -37.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 71.530000000000001 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -137.24 118.57 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 73.329999999999998 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.18 75.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.56 -42.46 87.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.877 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.804 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.6 mm -57.43 -20.55 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.230000000000004 111.127 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -25.95 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 65.230000000000004 110.86 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -55.01 -54.77 38.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.9 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -46.43 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 74.409999999999997 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -47.8 -38.45 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 15.9 t80 -53.77 -42.2 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.676 HG11 ' CE1' ' A' ' 44' ' ' TYR . 74.2 t -75.87 -40.68 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 111.108 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.64 HG22 ' CG2' ' A' ' 33' ' ' ILE . 26.6 mm -62.7 -31.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.349999999999994 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -68.74 -24.28 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.905 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.2 p -74.06 -24.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 65.209999999999994 111.16 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.43 ' HB2' HG11 ' A' ' 35' ' ' VAL . 89.6 mmm -94.12 -52.54 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -91.67 158.17 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 54.350000000000001 111.082 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -103.92 64.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -23.85 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.846 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.21 -39.61 30.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 110.845 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -127.27 -1.91 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.845 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -106.82 18.49 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.859 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.85 -103.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 55.5 112.459 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -71.97 153.26 41.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 62.130000000000003 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.669 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -102.34 136.9 32.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 70.340000000000003 111.1 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -147.57 139.35 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 54.450000000000003 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 24' ' ' MET . 5.8 m -154.72 151.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 64.430000000000007 111.12 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 p -84.04 154.35 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.5 111.107 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -51.78 -48.96 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.109999999999999 110.911 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.14 -46.66 56.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 54.539999999999999 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.44 -51.4 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 62.509999999999998 110.866 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.92 -50.0 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.019999999999996 110.927 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' O ' HG13 ' A' ' 45' ' ' VAL . 27.8 t80 -60.03 -51.54 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 110.897 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -58.34 -18.35 26.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.010000000000005 110.863 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.26 -34.63 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.79 -26.13 44.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 110.942 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 41' ' ' PHE . 25.9 m -56.26 -27.78 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 72.439999999999998 111.136 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -90.3 10.78 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mt -131.86 -71.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 65.120000000000005 111.159 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.27 -33.53 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 110.861 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.693 ' OD1' HG12 ' A' ' 45' ' ' VAL . 30.3 t0 68.99 63.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.12 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.229999999999997 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.5 -45.82 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 111.151 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' N ' HG13 ' A' ' 51' ' ' VAL . 77.5 t -55.3 -35.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 53.020000000000003 111.165 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.13 -31.89 66.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.481 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 mt -76.74 -35.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 75.040000000000006 111.132 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD22 HG11 ' A' ' 64' ' ' VAL . 46.8 mt -51.7 -30.95 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 110.924 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.27 -33.84 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.119999999999997 110.883 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -74.61 -44.39 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.838 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -66.14 -32.58 74.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 61.450000000000003 111.069 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -64.88 -27.81 69.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 64.439999999999998 110.839 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -51.82 -33.54 36.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 110.907 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -114.06 32.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.299999999999997 110.858 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.88 67.21 2.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.735 . . . . 73.129999999999995 112.485 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.0 tm? -114.03 -23.92 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 55' ' ' LEU . 12.4 m -114.67 121.02 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 64.329999999999998 111.144 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -88.95 -4.6 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.120000000000005 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.74 161.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 53.030000000000001 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.01 161.13 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 74.409999999999997 110.917 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.13 159.71 34.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 60.520000000000003 112.509 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.73 -16.12 49.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 72.329999999999998 110.915 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.605 ' C ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -170.31 160.47 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.872 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.806 HD22 HG21 ' A' ' 79' ' ' VAL . 4.9 mt -119.07 121.95 41.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 72.319999999999993 110.923 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -91.5 121.4 33.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 74.030000000000001 110.906 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 125.34 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 110.938 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.96 -9.26 77.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 64.409999999999997 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -122.27 -55.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 71.530000000000001 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 79' ' ' VAL . 21.9 m-20 -93.03 14.42 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 53.140000000000001 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -56.26 -26.24 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -19.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.806 HG21 HD22 ' A' ' 71' ' ' LEU . 74.0 t -55.58 115.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 70.109999999999999 111.123 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -92.67 116.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 72.019999999999996 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.43 109.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 111.133 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CD1' ' A' ' 84' ' ' LEU . 2.5 t -105.43 113.4 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 64.409999999999997 111.129 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 33' ' ' ILE . 5.2 tp -51.91 104.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 41.450000000000003 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HG23 ' A' ' 82' ' ' THR . 4.9 mp -93.95 84.76 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 63.109999999999999 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HG2' HD23 ' A' ' 63' ' ' LEU . 2.4 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.49 -0.244 . . . . 64.25 112.49 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . 68.98 -77.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 70.319999999999993 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mtt -140.3 88.46 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.140000000000001 110.851 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.22 -169.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 44.030000000000001 111.075 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -92.22 -46.13 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 72.25 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . 51.65 44.05 29.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.239999999999995 111.11 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.601 ' CD ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -55.8 -25.74 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 75.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.12 -26.7 53.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 54.109999999999999 110.88 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 8.7 m170 -82.4 1.69 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 63.509999999999998 110.846 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' CD2' ' A' ' 11' ' ' TYR . 29.3 mm -75.89 -59.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 111.14 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD2' HG22 ' A' ' 10' ' ' ILE . 45.6 m-85 -121.69 125.49 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -68.71 -42.97 76.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.927 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.78 -41.85 87.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.219999999999999 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 63' ' ' LEU . 41.5 mm -57.83 -20.59 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 34.32 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.3 ttp -52.01 -25.26 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 52.240000000000002 110.911 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -54.99 -53.76 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.874 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -47.08 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.510000000000005 110.919 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.2 t -47.92 -38.12 15.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' THR . 44.5 t80 -54.7 -41.93 70.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.683 HG11 ' CE2' ' A' ' 44' ' ' TYR . 75.2 t -75.73 -36.78 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.099999999999994 111.157 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.648 ' CD1' HD21 ' A' ' 40' ' ' LEU . 26.6 mm -66.53 -35.81 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 111.153 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -64.91 -27.49 68.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' PHE . 5.8 p -72.95 -24.8 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 55.130000000000003 111.196 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.664 ' HE3' HG11 ' A' ' 35' ' ' VAL . 33.0 mtm -88.57 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.329999999999998 110.9 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -77.88 145.38 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 111.118 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -116.76 -75.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 72.519999999999996 110.886 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -24.02 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.510000000000005 110.864 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HB1' ' A' ' 25' ' ' ALA . 10.2 mmt180 -65.83 -27.32 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.210000000000001 110.91 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -26.79 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.340000000000003 110.882 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.13 -32.03 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.57 -110.43 0.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 50.039999999999999 112.532 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -92.29 142.11 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 71.049999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' CG2' HG22 ' A' ' 21' ' ' ILE . 2.0 mt -100.4 143.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 54.350000000000001 111.12 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -148.05 139.97 24.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 63.229999999999997 110.905 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG11 ' HE3' ' A' ' 24' ' ' MET . 3.8 m -154.26 150.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 63.329999999999998 111.134 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 p -82.46 158.45 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 111.114 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.35 -46.77 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.95 -46.56 49.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 75.5 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.93 -48.45 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 62.200000000000003 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.5 mt -55.06 -48.09 73.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.209999999999994 110.934 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.779 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.1 t80 -63.07 -52.95 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.849 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -58.33 -18.12 25.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 63.350000000000001 110.881 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -94.4 -34.77 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.862 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.683 ' CE2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -78.83 -25.98 44.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.430000000000007 110.932 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 41' ' ' PHE . 24.8 m -56.28 -27.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 62.329999999999998 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -89.97 10.75 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.400000000000006 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.6 mt -131.8 -71.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.139 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -124.57 -32.99 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 63.210000000000001 110.802 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' OD1' HG12 ' A' ' 45' ' ' VAL . 11.9 t0 68.81 62.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 75.430000000000007 110.845 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.19 39.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 60.450000000000003 110.836 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.69 -45.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 41.340000000000003 111.142 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' N ' HG13 ' A' ' 51' ' ' VAL . 55.6 t -55.64 -35.32 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 72.129999999999995 111.1 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.01 -31.52 66.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 73.319999999999993 112.456 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.5 mt -76.81 -36.2 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.329999999999998 111.136 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 64' ' ' VAL . 44.6 mt -51.77 -30.96 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 63.530000000000001 110.931 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 52.340000000000003 110.867 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -76.33 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -61.04 -31.14 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.510000000000005 111.1 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -66.42 -27.91 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -51.82 -32.98 33.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 54.420000000000002 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -114.11 29.49 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.88 68.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 53.240000000000002 112.54 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.37 -27.91 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 61.409999999999997 110.87 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.926 HG11 HD22 ' A' ' 55' ' ' LEU . 16.8 m -115.77 120.73 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -86.25 5.5 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.873 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.19 161.07 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.85 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.57 159.14 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 61.299999999999997 110.901 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.16 157.05 27.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 61.420000000000002 112.447 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.02 -16.64 56.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 64.420000000000002 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.727 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -162.09 164.94 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.853 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 79' ' ' VAL . 13.1 mt -127.31 121.92 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 54.350000000000001 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -90.38 119.58 30.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.927 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.44 128.84 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 63.5 110.932 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 -8.99 78.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 55.039999999999999 112.501 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -122.37 -52.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 74.209999999999994 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.8 m-20 -94.66 14.16 21.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 110.86 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.17 -26.1 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 54.149999999999999 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -68.16 -20.74 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 71' ' ' LEU . 75.5 t -55.52 114.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.131 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.46 118.31 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.59 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 111.109 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.86 111.92 24.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 62.030000000000001 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.601 HD23 ' CD ' ' A' ' 7' ' ' GLU . 5.0 tp -50.03 105.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.885 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.622 HD11 ' CG ' ' A' ' 65' ' ' HIS . 19.4 mt -97.83 89.28 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.129999999999995 110.914 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.450000000000003 110.878 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.244 . . . . 53.109999999999999 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.68 -170.49 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 61.420000000000002 111.065 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.9 mtm -63.24 166.17 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 62.450000000000003 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.04 -169.6 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 62.439999999999998 111.046 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -90.55 -35.05 15.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.78 31.2 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -53.01 -38.48 62.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 55.240000000000002 110.846 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -77.31 -22.83 51.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 62.32 110.899 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.64 3.15 30.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.877 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.36 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -116.91 121.87 42.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 73.209999999999994 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -69.35 -43.71 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 52.219999999999999 110.866 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.58 -42.34 87.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.905 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.861 HD12 ' HG ' ' A' ' 63' ' ' LEU . 47.7 mm -57.48 -19.99 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 41.539999999999999 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.6 ttt -51.27 -25.47 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.019999999999996 110.857 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.07 -57.5 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 73.510000000000005 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -45.77 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.340000000000003 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 t -48.03 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.887 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 23' ' ' THR . 47.6 t80 -53.75 -42.4 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.150000000000006 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.5 t -76.05 -39.66 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 33' ' ' ILE . 25.9 mm -64.21 -31.43 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.120000000000005 111.169 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -68.99 -28.76 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.802 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 19' ' ' PHE . 7.5 p -69.31 -23.78 63.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 63.219999999999999 111.184 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -92.12 -54.18 3.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 63.530000000000001 110.847 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.742 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -83.5 167.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.349999999999994 111.083 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.875 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -23.77 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.844 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -38.47 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 65.540000000000006 110.857 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.28 -0.95 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 75.439999999999998 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -106.5 -11.92 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 75.140000000000001 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.95 -80.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 51.509999999999998 112.468 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -83.01 153.08 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 64.109999999999999 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.773 HG22 HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.34 131.53 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 111.115 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.030000000000001 110.902 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 21' ' ' ILE . 6.9 m -154.46 153.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 64.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -87.06 155.46 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.114 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.7 -49.05 63.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.62 -47.23 52.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 60.420000000000002 112.443 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.09 -51.13 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 75.319999999999993 110.876 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -53.85 -49.5 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.879 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.766 ' O ' HG13 ' A' ' 45' ' ' VAL . 37.1 t80 -60.16 -52.27 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 62.340000000000003 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -19.23 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 75.430000000000007 110.83 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -93.25 -34.32 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.439999999999998 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.695 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -78.58 -27.5 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.922 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 41' ' ' PHE . 29.3 m -56.15 -27.89 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 64.319999999999993 111.15 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -90.61 10.93 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 110.849 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -132.02 -71.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 64.030000000000001 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 -34.01 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.667 ' OD1' HG12 ' A' ' 45' ' ' VAL . 22.9 t0 69.15 64.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.27 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 72.340000000000003 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.592 HG21 HD22 ' A' ' 40' ' ' LEU . 4.1 p -53.8 -45.92 62.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 52.119999999999997 111.122 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' N ' HG13 ' A' ' 51' ' ' VAL . 59.5 t -54.72 -34.18 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 50.439999999999998 111.132 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -33.6 66.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 65.140000000000001 112.499 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.99 -33.95 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 75.019999999999996 111.174 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.863 HD22 HG11 ' A' ' 64' ' ' VAL . 44.5 mt -51.74 -30.91 24.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.040000000000006 110.924 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 mtm -58.75 -34.51 71.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 60.399999999999999 110.931 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -73.47 -55.05 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -56.37 -33.62 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' HG23 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -64.19 -27.78 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.903 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -51.87 -33.41 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.439999999999998 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -114.02 32.86 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.010000000000005 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.23 67.34 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 72.329999999999998 112.495 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -113.47 -26.44 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 110.941 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 55' ' ' LEU . 17.0 m -116.94 119.4 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 41.409999999999997 111.133 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.668 ' CB ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -86.13 5.37 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 71.140000000000001 110.879 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.43 161.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.04 159.08 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.905 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.78 157.52 22.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 72.340000000000003 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.65 -17.18 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 74.230000000000004 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.72 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -159.81 168.89 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 42.039999999999999 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD22 HG21 ' A' ' 79' ' ' VAL . 26.3 mt -130.33 121.85 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -91.09 122.13 33.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -51.89 127.23 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.86 -7.79 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 55.039999999999999 112.459 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -122.0 -53.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 75.200000000000003 110.9 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 71' ' ' LEU . 3.1 m-20 -96.62 14.28 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.310000000000002 110.847 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -59.44 -26.5 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 51.450000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -69.11 -20.71 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.737 HG21 HD22 ' A' ' 71' ' ' LEU . 94.3 t -55.8 115.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.128 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.4 t -90.45 121.89 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.020000000000003 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.01 109.25 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.049999999999997 111.157 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.627 HG23 HD21 ' A' ' 84' ' ' LEU . 1.8 t -103.6 113.7 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 111.177 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 33' ' ' ILE . 4.6 tp -48.8 105.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.965 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD11 ' CB ' ' A' ' 65' ' ' HIS . 26.4 mt -95.94 84.38 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.895 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 44.200000000000003 110.867 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 75.140000000000001 112.503 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . 68.95 -77.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 44.409999999999997 111.105 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -160.0 59.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.030000000000001 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.16 -169.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 60.409999999999997 111.124 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -91.46 -33.45 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 63.039999999999999 110.851 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.73 35.81 16.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 111.116 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -32.87 65.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 63.140000000000001 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.36 -22.97 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 64.239999999999995 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.49 36.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 64.510000000000005 110.823 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.609 HG22 ' CD2' ' A' ' 11' ' ' TYR . 45.9 mm -75.0 -43.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 75.040000000000006 111.148 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CD2' HG22 ' A' ' 10' ' ' ILE . 38.2 m-85 -143.79 128.62 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 72.219999999999999 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -68.72 -42.8 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.219999999999999 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -41.55 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 110.902 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.811 HD12 ' HG ' ' A' ' 63' ' ' LEU . 48.1 mm -58.12 -20.96 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.430000000000007 111.11 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.32 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.510000000000005 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -54.98 -54.04 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -47.94 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 65.310000000000002 110.865 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -47.65 -38.07 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.319999999999993 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 23' ' ' THR . 45.5 t80 -53.89 -42.59 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.927 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.707 HG11 ' CE1' ' A' ' 44' ' ' TYR . 72.4 t -75.79 -39.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.310000000000002 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.65 ' CD1' HD21 ' A' ' 40' ' ' LEU . 27.1 mm -63.52 -31.23 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 61.409999999999997 111.109 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -69.87 -24.27 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.1 p -71.81 -27.1 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.099999999999994 111.13 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.713 ' HE3' HG11 ' A' ' 35' ' ' VAL . 48.6 mtm -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.907 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.65 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -85.1 153.69 22.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 44.450000000000003 111.113 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -101.94 65.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 110.878 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -23.88 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.841 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -49.44 -39.0 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 62.520000000000003 110.834 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.07 -2.33 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 110.893 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.68 18.22 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.150000000000006 110.901 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.89 -103.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 65.140000000000001 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -71.76 153.11 42.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.81 0.338 . . . . 74.439999999999998 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.65 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -103.01 134.63 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 111.106 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 35' ' ' VAL . 21.6 mp0 -146.31 139.33 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 71.239999999999995 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG11 ' HE3' ' A' ' 24' ' ' MET . 4.4 m -155.17 151.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 111.181 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -84.22 154.16 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.147 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.86 -47.66 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.59 -47.3 52.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.731 . . . . 42.229999999999997 112.474 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.3 -50.69 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 72.519999999999996 110.901 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.4 mt -53.85 -49.26 68.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.982 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.773 ' O ' HG13 ' A' ' 45' ' ' VAL . 36.5 t80 -60.66 -52.13 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.430000000000007 110.916 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -58.35 -18.66 29.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 75.450000000000003 110.833 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -93.54 -34.44 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.040000000000006 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.707 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -78.89 -26.92 43.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 70.030000000000001 110.936 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 41' ' ' PHE . 31.5 m -56.31 -27.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 53.32 111.131 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -90.49 10.82 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.2 mt -131.99 -71.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -34.03 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 73.010000000000005 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.67 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.26 64.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.41 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.150000000000006 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HD22 ' A' ' 40' ' ' LEU . 4.4 p -54.21 -45.38 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 111.114 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' N ' HG13 ' A' ' 51' ' ' VAL . 53.5 t -54.14 -37.53 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.84 -33.12 79.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 72.530000000000001 112.515 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 51' ' ' VAL . 12.8 mt -76.78 -33.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.099999999999994 111.141 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.82 HD22 HG11 ' A' ' 64' ' ' VAL . 46.5 mt -51.59 -30.95 22.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -59.86 -35.33 74.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -70.65 -55.0 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 62.530000000000001 110.88 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -58.35 -32.36 68.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 111.113 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -27.61 69.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -51.74 -33.64 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -114.06 33.36 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 62.219999999999999 110.883 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.94 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 24.539999999999999 112.457 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.811 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -114.12 -25.94 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 52.229999999999997 110.941 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.82 HG11 HD22 ' A' ' 55' ' ' LEU . 15.8 m -118.54 117.37 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 51.509999999999998 111.113 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.549 ' HB2' HD11 ' A' ' 84' ' ' LEU . 2.3 t-160 -85.99 5.14 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 74.109999999999999 110.895 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.4 161.2 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 63.329999999999998 110.846 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -173.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 70.019999999999996 110.873 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.55 -168.63 19.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 61.409999999999997 112.48 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 61.73 29.62 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 62.119999999999997 110.918 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.706 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.1 mtt 60.03 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 72.209999999999994 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 79' ' ' VAL . 35.3 mt -131.21 123.01 27.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 75.109999999999999 110.909 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -89.2 125.68 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.140000000000001 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 121.16 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 72.030000000000001 110.903 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.96 56.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 74.299999999999997 112.456 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -122.04 -52.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 72.209999999999994 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 71' ' ' LEU . 5.3 m-20 -92.19 14.21 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.239999999999995 110.892 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.44 -26.54 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 54.409999999999997 110.863 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -71.48 -19.18 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 71' ' ' LEU . 98.7 t -55.84 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 111.143 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.5 123.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.64 109.55 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.040000000000006 111.158 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -103.66 111.79 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 33' ' ' ILE . 5.5 tp -49.27 105.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 54.310000000000002 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 65' ' ' HIS . 53.9 mt -93.47 85.26 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.310000000000002 110.957 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' HD23 ' A' ' 63' ' ' LEU . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 72.299999999999997 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.51 -0.236 . . . . 73.439999999999998 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.09 -177.48 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 65.310000000000002 111.112 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.81 125.97 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.049999999999997 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.98 -169.8 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.140000000000001 111.094 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -91.11 -42.76 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.340000000000003 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.73 38.23 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 71.109999999999999 111.075 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.617 ' CD ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -56.49 -27.1 56.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 61.329999999999998 110.885 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -22.97 51.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 61.109999999999999 110.87 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -82.13 1.48 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.209999999999994 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.3 mm -79.78 -36.4 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 73.349999999999994 111.137 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -142.23 123.45 14.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.928 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -68.63 -44.75 73.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 60.409999999999997 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -42.72 87.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.803 HD12 ' HG ' ' A' ' 63' ' ' LEU . 43.4 mm -57.87 -21.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 45.149999999999999 111.13 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.64 8.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.882 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.12 -54.13 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.925 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 -46.77 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 64.319999999999993 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -47.69 -38.14 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' THR . 41.3 t80 -53.74 -43.02 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.914 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 44' ' ' TYR . 77.1 t -76.14 -41.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.109999999999999 111.15 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.674 HG22 ' CG2' ' A' ' 33' ' ' ILE . 34.0 mm -61.73 -31.13 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.101 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -23.02 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 72.200000000000003 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' PHE . 6.0 p -78.31 -22.01 48.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 41.420000000000002 111.128 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.89 -45.8 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.848 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.696 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -100.59 151.19 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 75.010000000000005 111.114 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -94.0 64.37 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.120000000000005 110.854 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -23.9 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -49.42 -39.17 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.843 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.19 -1.86 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 53.520000000000003 110.929 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.73 17.36 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.71 -103.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 72.329999999999998 112.46 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -70.7 153.29 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 73.319999999999993 110.926 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.696 ' CG2' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -101.98 137.98 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 45.119999999999997 111.118 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.8 mp0 -148.16 139.2 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.420000000000002 110.903 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 21' ' ' ILE . 1.9 m -157.26 150.97 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 70.450000000000003 111.09 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.575 HG22 HG22 ' A' ' 80' ' ' VAL . 41.1 p -86.52 156.39 20.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 72.340000000000003 111.155 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 71' ' ' LEU . 4.9 t80 -51.63 -47.32 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 62.450000000000003 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.77 -47.55 52.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 34.009999999999998 112.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.99 -50.86 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 73.409999999999997 110.894 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 21' ' ' ILE . 1.2 mt -53.78 -47.6 70.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.530000000000001 110.915 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 45' ' ' VAL . 40.3 t80 -61.94 -52.24 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.549999999999997 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -58.73 -18.06 28.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 110.821 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -93.66 -34.8 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.875 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.701 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.81 -26.99 44.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 73.530000000000001 110.917 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 41' ' ' PHE . 30.8 m -56.26 -28.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 71.310000000000002 111.103 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -90.06 10.79 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 65.450000000000003 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -131.82 -71.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 111.119 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -127.2 -33.86 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 54.229999999999997 110.896 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.658 ' OD1' HG12 ' A' ' 45' ' ' VAL . 19.1 t0 69.18 66.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 110.857 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 34.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 54' ' ' ILE . 4.3 p -53.98 -45.56 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 62.219999999999999 111.125 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 71' ' ' LEU . 56.0 t -54.34 -35.77 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.340000000000003 111.154 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.12 -31.83 66.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 62.140000000000001 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 51' ' ' VAL . 5.2 mt -76.86 -35.57 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 54.32 111.174 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG11 ' A' ' 64' ' ' VAL . 45.5 mt -52.18 -35.3 48.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.93 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.96 -28.38 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.836 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -50.85 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 63' ' ' LEU . . . -60.82 -32.22 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -27.85 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 110.888 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -51.84 -33.48 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.955 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -114.04 31.89 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 44.549999999999997 110.886 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.78 66.77 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 61.219999999999999 112.547 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.803 ' HG ' HD12 ' A' ' 14' ' ' ILE . 3.2 tm? -112.39 -27.98 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 71.150000000000006 110.908 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.783 HG11 HD22 ' A' ' 55' ' ' LEU . 9.3 m -113.44 121.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 61.149999999999999 111.144 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.696 ' CG ' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -88.07 7.82 29.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 54.329999999999998 110.891 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -54.4 161.05 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.892 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.98 168.51 12.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 71.420000000000002 110.923 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.15 -157.93 3.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 54.5 112.488 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.28 24.07 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 62.229999999999997 110.925 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -176.69 169.34 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.895 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 52' ' ' VAL . 5.7 mt -137.01 125.13 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.931 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -101.11 122.51 43.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.889 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.41 116.96 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 72.230000000000004 110.946 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 -11.4 56.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 74.109999999999999 112.501 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -122.11 -55.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 72.230000000000004 110.933 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.13 14.14 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 110.899 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.76 -26.49 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -18.31 56.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 54.009999999999998 110.85 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 71' ' ' LEU . 88.9 t -55.8 115.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.409999999999997 111.1 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 36' ' ' THR . 76.3 t -89.73 121.15 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 111.164 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.82 109.39 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 111.161 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -103.41 113.02 26.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 70.510000000000005 111.136 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.617 HD23 ' CD ' ' A' ' 7' ' ' GLU . 5.2 tp -48.96 105.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.299999999999997 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.696 HD11 ' CG ' ' A' ' 65' ' ' HIS . 27.5 mt -96.41 89.38 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.409999999999997 110.9 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.872 179.925 . . . . . . . . 0 0 . 1 stop_ save_