data_2n58_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 2n58 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.822 0.344 . . . . 74.510000000000005 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.31 -27.55 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -70.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.25 111.122 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.05 -26.37 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 63.130000000000003 110.928 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -56.6 -60.19 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -62.27 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 75.450000000000003 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.21 -138.15 4.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.299999999999997 112.511 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -103.56 -54.12 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 75.319999999999993 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.31 -34.84 48.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.59 -44.85 85.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.519999999999996 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -55.51 -29.45 58.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.099999999999994 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.28 75.03 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 110.958 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 111.132 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -53.03 -49.29 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.859 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -52.07 -48.16 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.859 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.97 -45.0 95.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 110.921 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -27.17 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 74.219999999999999 110.865 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -71.78 -61.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 110.847 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.918 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.22 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.310000000000002 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 -32.14 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.25 -67.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -51.44 -49.76 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 65.129999999999995 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -103.59 43.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.140000000000001 110.858 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.219999999999999 111.092 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.57 -25.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 72.030000000000001 111.173 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.54 -64.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.140000000000001 111.055 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.41 -24.9 61.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.450000000000003 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.62 161.96 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm 60.55 32.05 20.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.62 -171.66 4.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 74.510000000000005 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -82.1 -33.26 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 73.010000000000005 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.93 -30.04 22.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.955 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.8 -45.09 94.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -56.35 -26.99 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 74.540000000000006 110.851 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.43 60.21 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.951 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -69.94 -37.91 76.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 64.430000000000007 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -64.77 -48.05 75.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.219999999999999 110.883 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.45 -53.54 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -56.37 -25.79 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -87.14 -23.09 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -83.23 -48.4 10.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.947 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -20.76 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 61.520000000000003 111.129 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.3 13.64 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 70.349999999999994 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.74 -52.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.519999999999996 110.881 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.62 -35.52 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.881 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -147.46 -43.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.299999999999997 111.085 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 73.450000000000003 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.47 -25.72 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.100000000000001 111.119 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.87 26.66 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 71.200000000000003 111.122 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -115.2 -26.88 7.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 71.200000000000003 110.94 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.43 -28.12 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -122.49 -73.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.31 -140.31 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 75.310000000000002 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -91.24 -49.34 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 75.409999999999997 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.61 -33.54 46.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.58 -44.23 76.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -56.1 -28.89 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.150000000000006 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.52 79.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.924 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -145.46 162.22 37.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 111.176 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -58.64 -51.67 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.540000000000006 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -52.18 -48.63 64.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.540000000000006 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.68 -37.15 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.95 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.44 -31.29 69.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.439999999999998 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -74.74 -24.0 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.319999999999993 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -83.27 -47.73 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 74.150000000000006 110.923 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.33 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.549999999999997 111.097 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.48 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -140.95 -52.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.530000000000001 110.87 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -36.05 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 64.049999999999997 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -147.16 -44.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.420000000000002 110.837 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.079 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.778 0.323 . . . . 65.129999999999995 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 m -113.19 -28.46 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -57.84 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.409999999999997 111.111 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.62 -27.06 57.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.409999999999997 110.935 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.46 159.49 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp 58.6 28.66 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.79 -154.07 37.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 71.409999999999997 112.506 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -104.89 -35.95 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.230000000000004 110.923 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -27.77 64.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 75.319999999999993 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.18 -44.01 71.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -56.37 -27.87 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 75.109999999999999 110.825 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.75 76.62 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.010000000000005 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 p -139.58 179.94 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -74.86 -50.91 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 74.329999999999998 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.17 -49.24 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -54.01 -59.66 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.150000000000006 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -54.67 -32.76 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.24 -26.08 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -83.21 -46.4 12.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 71.519999999999996 110.93 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.04 -20.25 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 111.087 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.42 13.52 17.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.409999999999997 111.072 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -141.04 -52.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.861 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.66 -35.69 43.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 70.230000000000004 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -147.51 -44.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 111.139 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 75.219999999999999 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 m -98.75 -28.26 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.126 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.3 133.66 42.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 111.075 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 63.7 15.91 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.340000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.71 -57.65 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 75.450000000000003 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -59.69 -26.53 65.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.86 172.54 18.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 74.120000000000005 112.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -86.03 -56.38 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 73.150000000000006 110.862 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.27 -26.07 62.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 110.883 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -52.13 -59.15 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.956 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -58.61 -25.89 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 75.109999999999999 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -76.55 66.93 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -126.25 160.83 29.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 73.150000000000006 111.14 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -32.97 74.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -71.17 -47.06 59.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.822 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -52.14 -52.38 52.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.938 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -57.07 -28.49 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -84.51 -23.42 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.409999999999997 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -83.16 -48.23 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 -19.87 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.13 13.11 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.019999999999996 111.078 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -141.08 -52.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.64 -32.85 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.887 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -150.71 -44.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.200000000000003 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 111.133 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.829 0.347 . . . . 74.409999999999997 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.59 -25.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.124 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.68 27.8 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 111.117 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -116.48 -25.82 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 75.549999999999997 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -66.06 -26.3 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.57 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.43 -143.96 7.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 73.200000000000003 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -94.33 -50.5 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 74.400000000000006 110.828 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.75 -26.94 37.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.099999999999994 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.0 -37.28 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 55.340000000000003 110.94 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.47 -25.89 64.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 75.349999999999994 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.63 66.08 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.949 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -130.83 -175.72 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.125 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -77.61 -50.99 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.55 -46.24 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -52.85 -42.21 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.924 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.94 -52.8 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.349999999999994 110.9 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.42 -26.22 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.08 -21.24 56.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.947 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 4.84 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 111.107 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.24 -5.89 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 111.111 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.31 -47.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.140000000000001 110.846 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.68 -39.18 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 75.200000000000003 110.84 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -145.35 -45.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.010000000000005 111.129 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.354 . . . . 75.510000000000005 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.3 43.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 74.530000000000001 111.096 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.56 -42.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.299999999999997 111.093 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.31 -26.25 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.14 -30.01 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.908 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -128.21 -69.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.99 -142.63 6.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 53.229999999999997 112.464 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -94.22 -44.13 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 74.140000000000001 110.913 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.91 -31.42 69.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.219999999999999 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -55.6 -44.43 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -59.45 -28.34 66.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.61 74.24 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 p -138.42 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.200000000000003 111.117 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -55.75 -51.38 67.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 62.520000000000003 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.03 -42.47 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.73 -43.68 75.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 110.935 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.854 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -57.24 4.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.862 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -55.43 -42.36 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 65.400000000000006 110.918 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.4 -11.36 60.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 71.230000000000004 111.078 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.05 0.86 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -129.84 -49.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.857 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.4 -37.47 48.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 60.420000000000002 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -147.05 -45.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.074 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 75.319999999999993 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.18 43.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -123.69 -47.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 61.25 111.099 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -28.85 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 110.934 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.55 150.01 5.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt 56.58 27.94 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.91 171.29 23.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 52.109999999999999 112.454 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -66.86 -31.7 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 74.010000000000005 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.21 -26.15 60.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 73.409999999999997 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -56.87 -27.62 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 63.210000000000001 110.879 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.11 60.13 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.340000000000003 110.931 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -114.8 176.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 70.299999999999997 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.43 -38.92 59.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.849 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -66.45 -46.63 75.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -53.16 -50.21 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.906 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -59.03 -26.21 64.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 71.420000000000002 110.917 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -53.72 6.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.030000000000001 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -55.75 -41.09 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 65.209999999999994 110.938 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.81 -10.98 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 52.32 111.054 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.79 1.11 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 70.200000000000003 111.093 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -129.55 -49.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.329999999999998 110.953 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.45 -37.13 47.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -147.01 -45.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.93 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 111.095 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 72.519999999999996 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.94 -30.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.143 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.82 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 55.240000000000002 111.081 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.38 -26.2 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.954 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -90.11 -176.73 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 55.67 29.22 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.19 -162.88 53.85 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 71.530000000000001 112.476 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -97.78 -38.45 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.944 0.402 . . . . 73.409999999999997 110.882 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.94 -27.01 40.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.01 -43.4 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.872 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -57.66 -33.07 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 75.140000000000001 110.87 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.2 78.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 p -141.13 164.88 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 -50.23 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 110.848 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -52.25 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 73.109999999999999 110.83 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.91 -41.66 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 110.953 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -67.21 -26.43 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -81.41 -52.27 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -58.02 -27.69 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.914 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.07 -15.55 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 72.040000000000006 111.088 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 -27.91 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.97 -54.51 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.4 -42.08 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.908 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -106.61 34.6 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.549999999999997 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.117 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 72.120000000000005 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.6 -26.79 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.11 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.3 -68.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.04 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.37 -28.72 69.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.420000000000002 110.952 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -56.88 153.43 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 54.9 30.97 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.886 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 179.54 49.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 71.400000000000006 112.508 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -82.19 -34.61 28.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 72.25 110.879 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.05 -26.97 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.549999999999997 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.13 -45.13 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.97 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.49 -30.68 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.310000000000002 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.45 67.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 71.239999999999995 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 p -128.41 -178.19 4.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 111.138 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -84.34 -27.98 27.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 65.140000000000001 110.818 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -76.37 -39.81 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.1 -42.89 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.953 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -68.32 -36.05 78.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 73.510000000000005 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -67.94 -27.79 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 63.439999999999998 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -83.2 -37.82 23.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.894 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 -24.83 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 72.030000000000001 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.17 -22.69 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 53.030000000000001 111.126 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.88 -53.44 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 65.219999999999999 110.888 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -41.4 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.53 28.55 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.877 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.350000000000001 111.084 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 72.209999999999994 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.94 -22.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 72.319999999999993 111.099 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.45 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 111.056 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -92.55 -25.79 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.120000000000005 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.61 141.45 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.129999999999995 110.912 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt 58.53 24.54 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.8 -168.99 52.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 74.329999999999998 112.471 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -78.81 -28.91 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 73.409999999999997 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mt -51.63 -40.53 60.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -52.06 -49.31 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.939 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -52.22 -29.91 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 75.299999999999997 110.831 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -77.52 61.45 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.945 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 p -122.85 155.79 35.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.349999999999994 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -52.37 -47.99 65.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 72.219999999999999 110.836 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -54.03 -52.44 60.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.869 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -52.26 -44.72 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.91 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -52.2 -33.4 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 75.299999999999997 110.809 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -86.8 -44.28 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.61 -33.4 69.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.329999999999998 110.931 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.56 2.27 53.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.5 111.12 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.03 -9.63 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.450000000000003 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -136.17 -41.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -82.08 -20.79 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -145.88 24.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.409999999999997 111.109 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 75.25 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.72 -50.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.099999999999994 111.132 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.24 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.25 111.116 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -52.77 -29.38 26.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.921 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.67 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.86 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -52.17 -71.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.29 -161.52 34.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 74.400000000000006 112.473 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -81.31 -53.22 6.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.48 -41.1 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 74.219999999999999 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -52.18 -54.3 32.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -52.12 -31.35 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.35 77.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.420000000000002 110.94 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 p -141.84 171.44 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 70.099999999999994 111.159 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -69.83 -47.66 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 110.859 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.43 -51.76 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.15 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 72.040000000000006 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -51.94 -30.11 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 62.25 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -57.19 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -60.88 -27.23 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.92 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.89 5.79 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 73.340000000000003 111.107 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.75 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.540000000000006 111.102 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -131.15 -39.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.889 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.49 -25.84 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 74.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -134.43 20.83 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 75.400000000000006 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.073 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.0 tptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 75.5 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.71 26.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 75.5 111.093 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.93 -50.1 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 111.076 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -65.86 -26.69 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 70.239999999999995 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.59 149.9 47.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.902 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 58.98 27.42 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.040000000000006 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.84 -172.35 46.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 73.329999999999998 112.463 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.299999999999997 110.894 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -55.94 -26.34 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.030000000000001 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.01 -47.18 68.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.864 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -59.1 -26.24 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 74.230000000000004 110.856 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.36 64.42 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -125.46 161.17 27.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 71.030000000000001 111.139 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -55.0 -49.01 72.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -52.29 -55.19 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 71.140000000000001 110.838 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -55.37 -43.02 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.932 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -64.79 -33.02 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 74.349999999999994 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -68.92 -61.22 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -57.22 -27.36 61.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.94 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.68 -19.21 49.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.040000000000006 111.092 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.48 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 111.112 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.76 -58.35 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.510000000000005 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.907 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -106.65 27.77 8.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 72.319999999999993 110.864 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 111.113 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.809 0.338 . . . . 74.109999999999999 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 m -51.75 -32.82 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 73.030000000000001 111.139 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -25.53 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 111.137 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -75.2 -26.25 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.519999999999996 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.02 -27.32 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -126.55 -74.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.887 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.66 -148.71 13.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 74.540000000000006 112.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -79.47 -43.17 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 75.340000000000003 110.92 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp -53.88 -39.19 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.450000000000003 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -52.06 -50.25 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 63.009999999999998 110.918 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -55.78 -26.36 45.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.120000000000005 110.903 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.9 70.3 2.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.409999999999997 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -126.93 160.61 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 111.155 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.14 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.450000000000003 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.69 -52.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 75.5 110.878 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.3 -54.17 34.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.310000000000002 110.913 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -56.39 -26.42 53.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 72.319999999999993 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.02 -25.85 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 54.219999999999999 110.872 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.61 -54.08 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.948 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.03 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.549999999999997 111.132 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -5.44 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 111.093 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -128.39 -0.28 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.923 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -123.98 -36.17 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.109999999999999 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 ptt85 -137.58 33.76 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 111.089 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.837 0.351 . . . . 75.510000000000005 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.67 76.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 71.310000000000002 111.125 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.93 -75.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.109 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -107.77 -15.86 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.510000000000005 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.81 -29.99 21.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 70.310000000000002 110.851 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -100.83 -30.71 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 75.400000000000006 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.09 171.74 17.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.409999999999997 112.476 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -74.62 -58.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 65.439999999999998 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.92 -35.07 44.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.91 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -52.6 -55.09 24.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -52.16 -30.36 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 73.310000000000002 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.75 68.55 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.530000000000001 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 p -128.69 158.31 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 111.123 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -55.96 -43.45 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.099999999999994 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.19 -59.21 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.230000000000004 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.15 -53.33 59.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 74.519999999999996 110.874 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -55.75 -25.9 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 72.549999999999997 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.09 -25.9 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -75.16 -55.51 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.899 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.79 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 111.095 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.96 38.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 54.340000000000003 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.54 2.64 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -125.28 -36.5 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.906 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 20.16 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.893 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 111.086 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.815 0.34 . . . . 71.430000000000007 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 p -114.56 -30.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.146 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.05 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 111.066 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.43 -31.48 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -72.71 -53.67 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -55.87 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.540000000000006 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.25 -147.14 11.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 71.230000000000004 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -96.76 -58.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 74.540000000000006 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 mt -52.41 -33.39 43.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -52.4 -50.94 61.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -56.13 -26.32 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.409999999999997 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.52 58.79 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -122.71 156.17 34.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 111.174 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -52.22 -47.47 65.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.209999999999994 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.56 -50.8 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.36 -47.18 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.109999999999999 110.91 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -52.73 -49.96 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.349999999999994 110.823 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -49.31 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.010000000000005 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -51.79 -52.3 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.439999999999998 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.67 69.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 65.140000000000001 111.093 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -5.43 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 111.122 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -125.94 -4.91 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 110.827 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.03 -28.36 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.109999999999999 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -144.71 43.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.519999999999996 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 111.086 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 73.530000000000001 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -170.15 151.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 93.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.131 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 63.77 15.85 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.882 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -128.14 21.99 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -140.41 -42.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.310000000000002 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.73 153.94 9.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.319999999999993 112.525 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.28 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 74.430000000000007 110.891 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.86 -39.05 73.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 74.209999999999994 110.934 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -51.94 -50.6 60.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 62.549999999999997 110.958 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -52.01 -33.59 39.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 75.25 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.8 75.6 2.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.4 p -142.58 -177.92 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 71.25 111.16 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -81.44 -34.96 31.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 73.450000000000003 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.12 -43.34 87.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.140000000000001 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.03 -46.26 64.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.89 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -62.43 -26.6 68.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 73.129999999999995 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -81.29 -55.14 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -52.11 -54.86 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.230000000000004 110.93 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -29.64 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 62.009999999999998 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -2.81 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 64.340000000000003 111.038 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.65 2.69 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.864 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -125.25 -36.47 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.64 20.02 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.87 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 111.127 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 75.430000000000007 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.95 -29.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 111.12 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.9 -34.3 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 111.079 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.32 -26.41 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.884 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.03 -30.31 24.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.919 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -125.51 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.209999999999994 110.855 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -132.64 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 72.409999999999997 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -100.56 -53.17 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.03 -37.76 54.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 73.439999999999998 110.909 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -55.77 -50.19 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.929 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -53.19 -30.04 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 73.099999999999994 110.858 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -70.01 84.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.119999999999997 110.959 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.1 p -148.5 160.31 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.146 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -58.66 -51.24 70.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 62.140000000000001 110.847 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -54.87 -53.62 53.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 72.519999999999996 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -53.47 -52.4 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.922 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -58.15 -36.52 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 63.439999999999998 110.88 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -71.6 -26.7 62.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.510000000000005 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -83.24 -44.63 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.25 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.41 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.329999999999998 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.09 16.93 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.299999999999997 111.129 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -139.92 -54.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.239999999999995 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.44 -49.32 61.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 75.120000000000005 110.91 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.63 -38.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 111.118 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 pttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.349 . . . . 74.140000000000001 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.14 45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 75.219999999999999 111.137 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.83 -60.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 111.072 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -116.28 -26.06 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.32 110.916 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -52.1 -30.1 24.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.109999999999999 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -93.25 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.882 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.87 -157.2 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 60.219999999999999 112.458 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -93.97 -62.99 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 71.140000000000001 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.01 -34.28 42.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -52.09 -52.31 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.905 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.27 -26.48 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.049999999999997 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -83.13 56.05 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.894 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -114.3 178.45 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 111.158 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -76.85 -31.86 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.109999999999999 110.875 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.05 -42.67 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.219999999999999 110.88 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.29 -27.95 50.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.948 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -73.76 -28.94 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -87.35 -26.35 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.329999999999998 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.24 -44.32 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.62 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 72.400000000000006 111.126 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.98 16.99 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 70.319999999999993 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -139.92 -55.05 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.39 -50.04 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.85 -37.98 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.855 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.139 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.872 0.367 . . . . 75.549999999999997 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.95 -23.87 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 72.010000000000005 111.138 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.07 24.62 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 111.073 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -111.74 -23.77 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 71.019999999999996 110.919 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.88 -25.89 68.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.239999999999995 110.856 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -141.01 -42.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.96 -166.53 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.504 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -68.51 -42.92 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 75.430000000000007 110.882 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.43 -30.46 19.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -68.73 -41.57 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -26.07 61.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.891 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.91 72.75 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.963 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.2 p -138.31 179.14 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 111.136 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 t -74.83 -45.9 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.340000000000003 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -56.97 -47.3 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.1 -31.89 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -48.1 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.299999999999997 110.858 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -61.18 -29.4 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.120000000000005 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.21 -55.84 9.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.209999999999994 110.912 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.01 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 73.109999999999999 111.09 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.51 -5.61 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.019999999999996 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.58 -0.14 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.833 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.92 -36.36 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 33.66 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.310000000000002 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 74.540000000000006 111.077 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.895 0.379 . . . . 75.319999999999993 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.68 157.24 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 71.239999999999995 111.115 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -96.75 35.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.129999999999995 110.861 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -84.4 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.510000000000005 110.893 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.31 -27.55 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -70.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.25 111.122 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.05 -26.37 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 63.130000000000003 110.928 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -56.6 -60.19 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -62.27 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 75.450000000000003 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.21 -138.15 4.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.299999999999997 112.511 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -103.56 -54.12 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 75.319999999999993 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.31 -34.84 48.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.59 -44.85 85.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.519999999999996 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -55.51 -29.45 58.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.099999999999994 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.28 75.03 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 110.958 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 111.132 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -53.03 -49.29 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.859 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -52.07 -48.16 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.859 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.97 -45.0 95.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 110.921 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -27.17 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 74.219999999999999 110.865 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -71.78 -61.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 110.847 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.918 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.22 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.310000000000002 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 -32.14 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.25 -67.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -51.44 -49.76 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 65.129999999999995 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -103.59 43.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.140000000000001 110.858 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.219999999999999 111.092 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -75.57 -32.7 60.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 111.147 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 72.099999999999994 110.855 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.878 0.371 . . . . 71.129999999999995 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.17 147.83 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 72.230000000000004 111.101 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -121.76 -69.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.540000000000006 110.89 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 26.03 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.857 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.57 -25.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 72.030000000000001 111.173 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.54 -64.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.140000000000001 111.055 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.41 -24.9 61.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.450000000000003 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.62 161.96 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm 60.55 32.05 20.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.62 -171.66 4.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 74.510000000000005 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -82.1 -33.26 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 73.010000000000005 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.93 -30.04 22.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.955 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.8 -45.09 94.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -56.35 -26.99 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 74.540000000000006 110.851 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.43 60.21 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.951 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -69.94 -37.91 76.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 64.430000000000007 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -64.77 -48.05 75.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 72.219999999999999 110.883 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.45 -53.54 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -56.37 -25.79 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -87.14 -23.09 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -83.23 -48.4 10.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.947 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -20.76 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 61.520000000000003 111.129 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.3 13.64 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 70.349999999999994 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.74 -52.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.519999999999996 110.881 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.62 -35.52 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.881 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -147.46 -43.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.19 17.17 9.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.299999999999997 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -78.64 -30.33 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 111.133 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.879 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.877 0.37 . . . . 74.340000000000003 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.52 103.28 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.030000000000001 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -106.13 -50.41 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.947 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -69.37 -43.42 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 73.450000000000003 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.47 -25.72 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.100000000000001 111.119 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.87 26.66 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 71.200000000000003 111.122 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -115.2 -26.88 7.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 71.200000000000003 110.94 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.43 -28.12 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -122.49 -73.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.31 -140.31 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 75.310000000000002 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -91.24 -49.34 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 75.409999999999997 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.61 -33.54 46.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.58 -44.23 76.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -56.1 -28.89 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.150000000000006 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.52 79.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.924 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -145.46 162.22 37.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 111.176 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -58.64 -51.67 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.540000000000006 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -52.18 -48.63 64.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.540000000000006 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.68 -37.15 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.95 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.44 -31.29 69.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.439999999999998 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -74.74 -24.0 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.319999999999993 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -83.27 -47.73 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 74.150000000000006 110.923 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.33 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.549999999999997 111.097 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.48 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -140.95 -52.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.530000000000001 110.87 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -36.05 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 64.049999999999997 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -147.16 -44.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.420000000000002 110.837 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.45 17.02 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -78.06 -30.48 49.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.030000000000001 111.141 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.901 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 73.129999999999995 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.1 110.0 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.439999999999998 111.093 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.57 70.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.88 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mttp 54.44 29.34 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 65.129999999999995 110.863 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 m -113.19 -28.46 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -57.84 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.409999999999997 111.111 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.62 -27.06 57.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.409999999999997 110.935 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.46 159.49 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp 58.6 28.66 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.79 -154.07 37.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 71.409999999999997 112.506 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -104.89 -35.95 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.230000000000004 110.923 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -27.77 64.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 75.319999999999993 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.18 -44.01 71.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -56.37 -27.87 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 75.109999999999999 110.825 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.75 76.62 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.010000000000005 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 p -139.58 179.94 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -74.86 -50.91 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 74.329999999999998 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.17 -49.24 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -54.01 -59.66 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.150000000000006 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -54.67 -32.76 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.24 -26.08 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -83.21 -46.4 12.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 71.519999999999996 110.93 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.04 -20.25 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 111.087 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.42 13.52 17.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.409999999999997 111.072 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -141.04 -52.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.861 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.66 -35.69 43.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 70.230000000000004 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -147.51 -44.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.44 16.94 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 111.139 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -77.98 -30.51 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 111.149 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.86 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.924 0.392 . . . . 71.209999999999994 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.57 132.65 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 73.040000000000006 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.24 26.46 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.855 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -100.77 -41.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.219999999999999 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 m -98.75 -28.26 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.126 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.3 133.66 42.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 111.075 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 63.7 15.91 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.340000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.71 -57.65 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 75.450000000000003 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -59.69 -26.53 65.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.86 172.54 18.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 74.120000000000005 112.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -86.03 -56.38 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 73.150000000000006 110.862 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.27 -26.07 62.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 110.883 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -52.13 -59.15 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.956 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -58.61 -25.89 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 75.109999999999999 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -76.55 66.93 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -126.25 160.83 29.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 73.150000000000006 111.14 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -32.97 74.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -71.17 -47.06 59.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.822 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -52.14 -52.38 52.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.938 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -57.07 -28.49 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -84.51 -23.42 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.409999999999997 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -83.16 -48.23 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 -19.87 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.13 13.11 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.019999999999996 111.078 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -141.08 -52.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.64 -32.85 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.887 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -150.71 -44.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.200000000000003 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.84 16.66 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 111.133 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -77.52 -30.58 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.349999999999994 111.179 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 110.853 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.1 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 71.010000000000005 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.94 108.25 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 65.129999999999995 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -122.61 -36.16 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 72.230000000000004 110.877 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -26.75 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.93 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.59 -25.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.124 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.68 27.8 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 111.117 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -116.48 -25.82 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 75.549999999999997 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -66.06 -26.3 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.57 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.43 -143.96 7.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 73.200000000000003 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -94.33 -50.5 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 74.400000000000006 110.828 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.75 -26.94 37.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.099999999999994 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.0 -37.28 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 55.340000000000003 110.94 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.47 -25.89 64.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 75.349999999999994 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.63 66.08 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.949 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -130.83 -175.72 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.125 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -77.61 -50.99 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.55 -46.24 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -52.85 -42.21 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.924 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.94 -52.8 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.349999999999994 110.9 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.42 -26.22 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.08 -21.24 56.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.947 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 4.84 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 111.107 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.24 -5.89 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 111.111 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.31 -47.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.140000000000001 110.846 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.68 -39.18 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 75.200000000000003 110.84 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -145.35 -45.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.36 17.0 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.010000000000005 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -79.38 -30.17 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.049999999999997 110.835 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.1 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.914 0.387 . . . . 74.420000000000002 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.22 62.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -113.1 -26.32 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 75.109999999999999 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -83.04 -27.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.510000000000005 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.3 43.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 74.530000000000001 111.096 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.56 -42.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.299999999999997 111.093 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.31 -26.25 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.14 -30.01 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.908 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -128.21 -69.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.99 -142.63 6.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 53.229999999999997 112.464 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -94.22 -44.13 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 74.140000000000001 110.913 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.91 -31.42 69.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.219999999999999 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -55.6 -44.43 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -59.45 -28.34 66.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.61 74.24 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 p -138.42 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.200000000000003 111.117 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -55.75 -51.38 67.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 62.520000000000003 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.03 -42.47 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.73 -43.68 75.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 110.935 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.854 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -57.24 4.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.862 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -55.43 -42.36 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 65.400000000000006 110.918 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.4 -11.36 60.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 71.230000000000004 111.078 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.05 0.86 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -129.84 -49.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.857 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.4 -37.47 48.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 60.420000000000002 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -147.05 -45.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.86 15.91 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.074 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -76.71 -30.7 56.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.239999999999995 111.13 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.510000000000005 110.902 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.389 . . . . 75.230000000000004 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.67 118.04 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 62.399999999999999 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -121.64 -43.1 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -110.59 -35.29 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 110.867 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.18 43.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -123.69 -47.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 61.25 111.099 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -28.85 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 110.934 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.55 150.01 5.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt 56.58 27.94 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.91 171.29 23.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 52.109999999999999 112.454 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -66.86 -31.7 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 74.010000000000005 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.21 -26.15 60.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 73.409999999999997 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -56.87 -27.62 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 63.210000000000001 110.879 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.11 60.13 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.340000000000003 110.931 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -114.8 176.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 70.299999999999997 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.43 -38.92 59.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.849 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -66.45 -46.63 75.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -53.16 -50.21 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.906 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -59.03 -26.21 64.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 71.420000000000002 110.917 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -53.72 6.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.030000000000001 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -55.75 -41.09 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 65.209999999999994 110.938 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.81 -10.98 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 52.32 111.054 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.79 1.11 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 70.200000000000003 111.093 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -129.55 -49.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.329999999999998 110.953 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.45 -37.13 47.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -147.01 -45.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.93 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.85 15.87 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 111.095 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -76.65 -30.72 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.349999999999994 111.094 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 73.349999999999994 110.883 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.36 . . . . 75.319999999999993 110.933 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.62 37.2 19.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 111.086 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.21 45.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.91 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 52.28 41.12 30.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 72.519999999999996 110.878 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.94 -30.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.143 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.82 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 55.240000000000002 111.081 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.38 -26.2 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.954 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -90.11 -176.73 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 55.67 29.22 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.19 -162.88 53.85 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 71.530000000000001 112.476 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -97.78 -38.45 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.944 0.402 . . . . 73.409999999999997 110.882 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.94 -27.01 40.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.01 -43.4 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.872 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -57.66 -33.07 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 75.140000000000001 110.87 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.2 78.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 p -141.13 164.88 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 -50.23 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 110.848 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -52.25 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 73.109999999999999 110.83 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.91 -41.66 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 110.953 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -67.21 -26.43 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -81.41 -52.27 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -58.02 -27.69 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.914 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.07 -15.55 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 72.040000000000006 111.088 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 -27.91 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.97 -54.51 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.4 -42.08 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.908 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -106.61 34.6 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.549999999999997 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.53 -63.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -72.85 -33.02 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 111.078 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 63.420000000000002 110.896 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.872 0.368 . . . . 72.219999999999999 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.25 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -101.81 -63.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.109999999999999 110.919 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -30.69 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.120000000000005 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.6 -26.79 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.11 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.3 -68.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.04 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.37 -28.72 69.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.420000000000002 110.952 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -56.88 153.43 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 54.9 30.97 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.886 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 179.54 49.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 71.400000000000006 112.508 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -82.19 -34.61 28.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 72.25 110.879 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.05 -26.97 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.549999999999997 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.13 -45.13 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.97 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.49 -30.68 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.310000000000002 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.45 67.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 71.239999999999995 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 p -128.41 -178.19 4.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 111.138 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -84.34 -27.98 27.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 65.140000000000001 110.818 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -76.37 -39.81 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.1 -42.89 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.953 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -68.32 -36.05 78.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 73.510000000000005 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -67.94 -27.79 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 63.439999999999998 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -83.2 -37.82 23.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.894 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 -24.83 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 72.030000000000001 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.17 -22.69 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 53.030000000000001 111.126 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.88 -53.44 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 65.219999999999999 110.888 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -41.4 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.53 28.55 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.877 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.350000000000001 111.084 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 t -64.21 -31.84 73.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 111.163 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.908 0.385 . . . . 63.100000000000001 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.3 -172.35 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 73.540000000000006 111.09 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -95.69 25.64 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.420000000000002 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -45.76 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.209999999999994 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.94 -22.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 72.319999999999993 111.099 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.45 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 111.056 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -92.55 -25.79 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.120000000000005 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.61 141.45 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.129999999999995 110.912 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt 58.53 24.54 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.8 -168.99 52.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 74.329999999999998 112.471 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -78.81 -28.91 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 73.409999999999997 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mt -51.63 -40.53 60.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -52.06 -49.31 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.939 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -52.22 -29.91 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 75.299999999999997 110.831 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -77.52 61.45 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.945 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 p -122.85 155.79 35.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.349999999999994 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -52.37 -47.99 65.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 72.219999999999999 110.836 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -54.03 -52.44 60.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.869 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -52.26 -44.72 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.91 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -52.2 -33.4 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 75.299999999999997 110.809 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -86.8 -44.28 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.61 -33.4 69.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.329999999999998 110.931 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.56 2.27 53.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 73.5 111.12 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.03 -9.63 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.450000000000003 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -136.17 -41.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -82.08 -20.79 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -145.88 24.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.7 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.409999999999997 111.109 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -99.44 -29.37 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 64.409999999999997 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 74.439999999999998 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.891 0.377 . . . . 75.150000000000006 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.03 29.85 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 111.073 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -108.11 -26.27 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.91 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -115.93 -26.36 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 75.25 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.72 -50.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.099999999999994 111.132 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.24 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.25 111.116 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -52.77 -29.38 26.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.921 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.67 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.86 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -52.17 -71.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.29 -161.52 34.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 74.400000000000006 112.473 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -81.31 -53.22 6.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.48 -41.1 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 74.219999999999999 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -52.18 -54.3 32.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -52.12 -31.35 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.35 77.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.420000000000002 110.94 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 p -141.84 171.44 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 70.099999999999994 111.159 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -69.83 -47.66 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 110.859 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.43 -51.76 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.15 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 72.040000000000006 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -51.94 -30.11 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 62.25 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -57.19 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -60.88 -27.23 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.92 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.89 5.79 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 73.340000000000003 111.107 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -14.75 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.540000000000006 111.102 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -131.15 -39.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.889 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.49 -25.84 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 74.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -134.43 20.83 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 75.400000000000006 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.073 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -103.43 -28.72 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 111.117 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 70.439999999999998 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.865 0.364 . . . . 74.519999999999996 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.03 159.36 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 61.119999999999997 111.091 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -125.47 29.19 6.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.854 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -112.99 -31.46 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.86 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.71 26.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 75.5 111.093 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.93 -50.1 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 111.076 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -65.86 -26.69 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 70.239999999999995 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.59 149.9 47.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.902 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 58.98 27.42 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.040000000000006 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.84 -172.35 46.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 73.329999999999998 112.463 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.299999999999997 110.894 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -55.94 -26.34 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.030000000000001 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.01 -47.18 68.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.864 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -59.1 -26.24 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 74.230000000000004 110.856 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.36 64.42 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -125.46 161.17 27.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 71.030000000000001 111.139 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -55.0 -49.01 72.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -52.29 -55.19 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 71.140000000000001 110.838 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -55.37 -43.02 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.932 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -64.79 -33.02 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 74.349999999999994 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -68.92 -61.22 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -57.22 -27.36 61.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.94 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.68 -19.21 49.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.040000000000006 111.092 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.48 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 111.112 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.76 -58.35 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.510000000000005 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.907 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -106.65 27.77 8.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 72.319999999999993 110.864 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.02 -72.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 111.113 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 t -60.39 -31.86 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 64.140000000000001 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.5 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.913 0.387 . . . . 75.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.37 135.04 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 73.109999999999999 111.064 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -132.77 -60.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -109.39 -26.1 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.887 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 m -51.75 -32.82 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 73.030000000000001 111.139 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -25.53 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 111.137 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -75.2 -26.25 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.519999999999996 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.02 -27.32 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -126.55 -74.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.887 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.66 -148.71 13.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 74.540000000000006 112.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -79.47 -43.17 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 75.340000000000003 110.92 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp -53.88 -39.19 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.450000000000003 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -52.06 -50.25 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 63.009999999999998 110.918 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -55.78 -26.36 45.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.120000000000005 110.903 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.9 70.3 2.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.409999999999997 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -126.93 160.61 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 111.155 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.14 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.450000000000003 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.69 -52.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 75.5 110.878 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.3 -54.17 34.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.310000000000002 110.913 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -56.39 -26.42 53.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 72.319999999999993 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.02 -25.85 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 54.219999999999999 110.872 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.61 -54.08 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.948 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.03 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.549999999999997 111.132 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -5.44 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 111.093 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -128.39 -0.28 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.923 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -123.98 -36.17 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.109999999999999 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 ptt85 -137.58 33.76 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.87 -72.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -103.9 -27.73 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.519999999999996 111.17 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.909 0.385 . . . . 71.209999999999994 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.14 109.61 13.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 73.319999999999993 111.114 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -60.59 -31.76 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -52.37 -30.72 30.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.510000000000005 110.862 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.67 76.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 71.310000000000002 111.125 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.93 -75.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.109 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -107.77 -15.86 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.510000000000005 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.81 -29.99 21.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 70.310000000000002 110.851 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -100.83 -30.71 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 75.400000000000006 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.09 171.74 17.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.409999999999997 112.476 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -74.62 -58.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 65.439999999999998 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.92 -35.07 44.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.91 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -52.6 -55.09 24.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -52.16 -30.36 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 73.310000000000002 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.75 68.55 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.530000000000001 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 p -128.69 158.31 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 111.123 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -55.96 -43.45 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.099999999999994 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.19 -59.21 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.230000000000004 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.15 -53.33 59.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 74.519999999999996 110.874 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -55.75 -25.9 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 72.549999999999997 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.09 -25.9 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -75.16 -55.51 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.899 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.79 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 111.095 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.96 38.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 54.340000000000003 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.54 2.64 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -125.28 -36.5 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.906 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 20.16 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.893 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.61 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 111.086 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -102.15 -27.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.134 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.879 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.915 0.388 . . . . 75.409999999999997 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.71 22.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 72.5 111.07 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -116.89 65.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.877 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.86 36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 71.430000000000007 110.864 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 p -114.56 -30.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.146 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.05 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 111.066 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.43 -31.48 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -72.71 -53.67 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -55.87 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.540000000000006 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.25 -147.14 11.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 71.230000000000004 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -96.76 -58.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 74.540000000000006 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 mt -52.41 -33.39 43.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -52.4 -50.94 61.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -56.13 -26.32 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.409999999999997 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.52 58.79 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -122.71 156.17 34.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 111.174 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -52.22 -47.47 65.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.209999999999994 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.56 -50.8 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.36 -47.18 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.109999999999999 110.91 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -52.73 -49.96 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.349999999999994 110.823 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -49.31 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.010000000000005 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -51.79 -52.3 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.439999999999998 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.67 69.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 65.140000000000001 111.093 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -5.43 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 111.122 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -125.94 -4.91 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 110.827 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.03 -28.36 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.109999999999999 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -144.71 43.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.519999999999996 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.27 -75.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 111.086 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -95.28 -24.61 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.310000000000002 111.158 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.400000000000006 110.895 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 74.349999999999994 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.18 91.43 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -164.22 -40.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 110.928 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -152.15 25.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.924 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -170.15 151.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 93.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.131 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 63.77 15.85 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.882 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -128.14 21.99 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -140.41 -42.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.310000000000002 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.73 153.94 9.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.319999999999993 112.525 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.28 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 74.430000000000007 110.891 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.86 -39.05 73.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 74.209999999999994 110.934 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -51.94 -50.6 60.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 62.549999999999997 110.958 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -52.01 -33.59 39.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 75.25 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.8 75.6 2.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.4 p -142.58 -177.92 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 71.25 111.16 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -81.44 -34.96 31.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 73.450000000000003 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.12 -43.34 87.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.140000000000001 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.03 -46.26 64.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.89 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -62.43 -26.6 68.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 73.129999999999995 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -81.29 -55.14 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -52.11 -54.86 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.230000000000004 110.93 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -29.64 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 62.009999999999998 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -2.81 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 64.340000000000003 111.038 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.65 2.69 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.864 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -125.25 -36.47 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.64 20.02 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.87 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.35 -76.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -102.26 -27.84 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 73.329999999999998 111.173 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.923 0.392 . . . . 72.450000000000003 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.51 97.42 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.140000000000001 111.078 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -123.07 -62.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 110.855 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.93 33.51 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 110.882 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.95 -29.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 111.12 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.9 -34.3 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 111.079 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.32 -26.41 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.884 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.03 -30.31 24.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.919 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -125.51 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.209999999999994 110.855 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -132.64 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 72.409999999999997 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -100.56 -53.17 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.03 -37.76 54.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 73.439999999999998 110.909 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -55.77 -50.19 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.929 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -53.19 -30.04 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 73.099999999999994 110.858 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -70.01 84.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.119999999999997 110.959 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.1 p -148.5 160.31 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.146 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -58.66 -51.24 70.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 62.140000000000001 110.847 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -54.87 -53.62 53.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 72.519999999999996 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -53.47 -52.4 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.922 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -58.15 -36.52 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 63.439999999999998 110.88 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -71.6 -26.7 62.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.510000000000005 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -83.24 -44.63 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.25 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.41 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.329999999999998 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.09 16.93 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.299999999999997 111.129 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -139.92 -54.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.239999999999995 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.44 -49.32 61.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 75.120000000000005 110.91 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.63 -38.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.13 18.2 8.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 111.118 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 m -89.87 12.02 18.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.519999999999996 111.138 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.921 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 75.540000000000006 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.5 101.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 63.409999999999997 111.097 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -91.21 -26.41 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.885 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -62.71 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.140000000000001 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.14 45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 75.219999999999999 111.137 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.83 -60.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 111.072 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -116.28 -26.06 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.32 110.916 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -52.1 -30.1 24.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.109999999999999 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -93.25 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.882 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.87 -157.2 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 60.219999999999999 112.458 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -93.97 -62.99 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 71.140000000000001 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.01 -34.28 42.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -52.09 -52.31 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.905 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.27 -26.48 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.049999999999997 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -83.13 56.05 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.894 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -114.3 178.45 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 111.158 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -76.85 -31.86 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.109999999999999 110.875 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.05 -42.67 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.219999999999999 110.88 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.29 -27.95 50.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.948 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -73.76 -28.94 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -87.35 -26.35 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.329999999999998 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.24 -44.32 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.62 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 72.400000000000006 111.126 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.98 16.99 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 70.319999999999993 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -139.92 -55.05 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.39 -50.04 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.85 -37.98 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.855 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.9 18.26 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 m -89.75 11.81 18.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.138 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.530000000000001 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.894 0.378 . . . . 72.530000000000001 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 75.329999999999998 111.101 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -108.41 -31.35 7.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.874 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -53.38 -28.61 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.549999999999997 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.95 -23.87 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 72.010000000000005 111.138 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.07 24.62 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 111.073 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -111.74 -23.77 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 71.019999999999996 110.919 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.88 -25.89 68.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.239999999999995 110.856 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -141.01 -42.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.96 -166.53 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.504 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -68.51 -42.92 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 75.430000000000007 110.882 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.43 -30.46 19.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -68.73 -41.57 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -26.07 61.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.891 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.91 72.75 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.963 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.2 p -138.31 179.14 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 111.136 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 t -74.83 -45.9 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.340000000000003 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -56.97 -47.3 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.1 -31.89 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -48.1 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.299999999999997 110.858 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -61.18 -29.4 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.120000000000005 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.21 -55.84 9.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.209999999999994 110.912 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.01 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 73.109999999999999 111.09 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.51 -5.61 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.019999999999996 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.58 -0.14 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.833 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.92 -36.36 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 33.66 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.310000000000002 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.55 -72.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 74.540000000000006 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -104.3 -27.84 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 65.519999999999996 111.121 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.894 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.822 0.344 . . . . 73.11 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.31 -27.55 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -70.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.21 111.122 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.05 -26.37 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 55.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -56.6 -60.19 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -62.27 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.21 -138.15 4.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.3 112.511 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -103.56 -54.12 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 71.12 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.31 -34.84 48.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.59 -44.85 85.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.31 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -55.51 -29.45 58.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.28 75.03 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.958 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.132 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -53.03 -49.29 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 72.44 110.859 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -52.07 -48.16 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 75.14 110.859 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.97 -45.0 95.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.921 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -27.17 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 65.04 110.865 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -71.78 -61.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 62.41 110.847 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.918 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.22 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.31 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 -32.14 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.25 -67.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -51.44 -49.76 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 65.13 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -103.59 43.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 71.12 110.858 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.22 111.092 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 72.42 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.57 -25.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 64.42 111.173 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.54 -64.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 62.15 111.055 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.41 -24.9 61.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.62 161.96 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm 60.55 32.05 20.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.62 -171.66 4.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 74.51 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -82.1 -33.26 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.1 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.93 -30.04 22.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.955 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.8 -45.09 94.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -56.35 -26.99 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.851 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.43 60.21 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.951 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -69.94 -37.91 76.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 64.43 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -64.77 -48.05 75.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 71.24 110.883 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.45 -53.54 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -56.37 -25.79 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 63.34 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -87.14 -23.09 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.51 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -83.23 -48.4 10.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.947 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -20.76 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 61.52 111.129 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.3 13.64 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 70.35 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.74 -52.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.52 110.881 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.62 -35.52 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.881 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -147.46 -43.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 60.13 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.3 111.085 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 73.13 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.47 -25.72 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.1 111.119 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.87 26.66 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 53.13 111.122 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -115.2 -26.88 7.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 41.24 110.94 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.43 -28.12 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -122.49 -73.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 63.33 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.31 -140.31 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 24.42 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -91.24 -49.34 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 75.41 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.61 -33.54 46.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.58 -44.23 76.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 71.4 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -56.1 -28.89 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.15 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.52 79.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.924 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -145.46 162.22 37.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 54.54 111.176 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -58.64 -51.67 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.54 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -52.18 -48.63 64.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.54 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.68 -37.15 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.35 110.95 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.44 -31.29 69.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -74.74 -24.0 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -83.27 -47.73 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.923 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.33 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.55 111.097 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.48 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -140.95 -52.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.87 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -36.05 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 64.05 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -147.16 -44.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.837 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.079 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.778 0.323 . . . . 55.42 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 m -113.19 -28.46 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB1' ' CD ' ' A' ' 14' ' ' ARG . . . -72.09 -57.84 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.41 111.111 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.62 -27.06 57.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.1 110.935 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.46 159.49 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp 58.6 28.66 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.79 -154.07 37.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 54.41 112.506 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -104.89 -35.95 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.23 110.923 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -27.77 64.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 72.24 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.18 -44.01 71.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CD ' ' HB1' ' A' ' 6' ' ' ALA . 52.1 mtp180 -56.37 -27.87 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.825 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.75 76.62 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 p -139.58 179.94 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -74.86 -50.91 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.17 -49.24 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -54.01 -59.66 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -54.67 -32.76 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.24 -26.08 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -83.21 -46.4 12.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 71.52 110.93 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.04 -20.25 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 65.53 111.087 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.42 13.52 17.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.41 111.072 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -141.04 -52.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.861 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.66 -35.69 43.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 64.55 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -147.51 -44.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.139 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 71.03 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 m -98.75 -28.26 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.21 111.126 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.3 133.66 42.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 52.44 111.075 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 63.7 15.91 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.923 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.71 -57.65 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -59.69 -26.53 65.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 50.04 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.86 172.54 18.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 61.12 112.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -86.03 -56.38 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 73.15 110.862 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.5 mt -58.27 -26.07 62.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 16' ' ' THR . 37.7 t80 -52.13 -59.15 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -58.61 -25.89 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 61.51 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 12' ' ' LEU . 44.1 mt -76.55 66.93 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' TYR . 12.2 p -126.25 160.83 29.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -32.97 74.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -71.17 -47.06 59.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.822 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -52.14 -52.38 52.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.938 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -57.07 -28.49 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -84.51 -23.42 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -83.16 -48.23 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.43 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 -19.87 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 74.24 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.13 13.11 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 70.11 111.078 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -141.08 -52.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 72.33 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.64 -32.85 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.53 110.887 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -150.71 -44.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.133 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.829 0.347 . . . . 74.41 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.59 -25.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 64.53 111.124 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' ' 14' ' ' ARG . . . -116.68 27.8 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.53 111.117 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -116.48 -25.82 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 70.5 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -66.06 -26.3 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.57 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.43 -143.96 7.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 52.25 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -94.33 -50.5 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 73.45 110.828 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.75 -26.94 37.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 16' ' ' THR . 50.3 t80 -54.0 -37.28 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 55.34 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' HB1' ' A' ' 6' ' ' ALA . 25.8 mtt180 -69.47 -25.89 64.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.63 66.08 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.23 110.949 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 13' ' ' TYR . 80.7 p -130.83 -175.72 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -77.61 -50.99 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.55 -46.24 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -52.85 -42.21 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.924 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.94 -52.8 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 70.3 110.9 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.42 -26.22 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.08 -21.24 56.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.32 110.947 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 4.84 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.41 111.107 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.24 -5.89 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.111 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.31 -47.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.14 110.846 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.68 -39.18 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 75.2 110.84 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -145.35 -45.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.2 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.14 111.129 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.354 . . . . 75.51 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.3 43.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.096 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.56 -42.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 61.43 111.093 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.31 -26.25 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.14 -30.01 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.42 110.908 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -128.21 -69.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.99 -142.63 6.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 53.23 112.464 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -94.22 -44.13 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 74.14 110.913 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.91 -31.42 69.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 44.51 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -55.6 -44.43 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -59.45 -28.34 66.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.61 74.24 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 p -138.42 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.2 111.117 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -55.75 -51.38 67.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 52.3 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.03 -42.47 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.73 -43.68 75.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.41 110.935 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.854 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -57.24 4.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 62.13 110.862 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -55.43 -42.36 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 65.4 110.918 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.4 -11.36 60.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 71.23 111.078 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.05 0.86 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 63.2 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -129.84 -49.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.857 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.4 -37.47 48.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 52.54 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -147.05 -45.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 71.43 111.074 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 72.21 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.18 43.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.33 111.159 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.678 ' HB1' ' CZ ' ' A' ' 14' ' ' ARG . . . -123.69 -47.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 54.41 111.099 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -28.85 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.934 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.55 150.01 5.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt 56.58 27.94 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.91 171.29 23.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.454 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -66.86 -31.7 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 74.01 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.21 -26.15 60.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 64.52 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' THR . 48.3 t80 -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 75.34 110.889 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.678 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 22.2 mtt180 -56.87 -27.62 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 63.21 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.11 60.13 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.931 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' TYR . 1.8 p -114.8 176.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 70.3 111.142 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.43 -38.92 59.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 61.04 110.849 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -66.45 -46.63 75.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -53.16 -50.21 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.31 110.906 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -59.03 -26.21 64.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.917 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -53.72 6.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -55.75 -41.09 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 64.14 110.938 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.81 -10.98 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 52.32 111.054 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.79 1.11 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 70.2 111.093 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -129.55 -49.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.953 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.45 -37.13 47.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -147.01 -45.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.93 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.095 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 71.11 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.94 -30.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.2 111.143 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.553 ' HB1' ' HE ' ' A' ' 14' ' ' ARG . . . -78.68 -35.82 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 31.11 111.081 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.38 -26.2 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.04 110.954 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -90.11 -176.73 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 55.67 29.22 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.19 -162.88 53.85 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 71.53 112.476 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -97.78 -38.45 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.944 0.402 . . . . 73.12 110.882 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.94 -27.01 40.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 63.13 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.01 -43.4 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.872 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HE ' ' HB1' ' A' ' 6' ' ' ALA . 43.6 mtp180 -57.66 -33.07 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.2 78.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 p -141.13 164.88 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.34 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 -50.23 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.848 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -52.25 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 73.11 110.83 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.91 -41.66 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.953 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -67.21 -26.43 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.905 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -81.41 -52.27 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -58.02 -27.69 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.914 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.07 -15.55 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 51.33 111.088 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 -27.91 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 72.12 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.97 -54.51 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.4 -42.08 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.908 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -106.61 34.6 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.55 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.1 111.117 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 72.12 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.6 -26.79 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.24 111.11 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -59.3 -68.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.21 111.04 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.37 -28.72 69.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.42 110.952 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -56.88 153.43 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 54.9 30.97 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.12 110.886 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 179.54 49.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 71.4 112.508 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -82.19 -34.61 28.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 72.25 110.879 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.05 -26.97 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.55 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' THR . 64.0 t80 -52.13 -45.13 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.31 110.97 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 82.1 mtp180 -60.49 -30.68 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 63.52 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.45 67.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 54.55 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 13' ' ' TYR . 21.7 p -128.41 -178.19 4.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 74.54 111.138 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -84.34 -27.98 27.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.22 110.818 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -76.37 -39.81 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.1 -42.89 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.953 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -68.32 -36.05 78.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 64.32 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.94 -27.79 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -83.2 -37.82 23.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.13 110.894 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 -24.83 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 33.01 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.17 -22.69 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 52.33 111.126 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.88 -53.44 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.888 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -41.4 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.53 28.55 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.22 110.877 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.35 111.084 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 72.21 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.94 -22.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.14 111.099 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.45 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 70.42 111.056 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -92.55 -25.79 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 62.23 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.61 141.45 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.21 110.912 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt 58.53 24.54 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.8 -168.99 52.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.471 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -78.81 -28.91 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 73.41 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 15' ' ' LEU . 4.9 mt -51.63 -40.53 60.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 16' ' ' THR . 30.9 t80 -52.06 -49.31 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -52.22 -29.91 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 75.01 110.831 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 12' ' ' LEU . 27.1 mt -77.52 61.45 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.945 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 13' ' ' TYR . 7.8 p -122.85 155.79 35.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.35 111.12 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -52.37 -47.99 65.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.836 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -54.03 -52.44 60.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.869 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -52.26 -44.72 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.91 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -52.2 -33.4 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.809 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -86.8 -44.28 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.33 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.61 -33.4 69.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.33 110.931 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.56 2.27 53.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 62.2 111.12 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -91.03 -9.63 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 62.42 111.121 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -136.17 -41.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -82.08 -20.79 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -145.88 24.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.41 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 63.04 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.72 -50.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.1 111.132 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.24 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.25 111.116 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -52.77 -29.38 26.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.67 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.86 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -52.17 -71.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.02 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.29 -161.52 34.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 74.4 112.473 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -81.31 -53.22 6.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 73.12 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 15' ' ' LEU . 20.6 mt -52.48 -41.1 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' THR . 60.0 t80 -52.18 -54.3 32.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -52.12 -31.35 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.11 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 12' ' ' LEU . 26.7 mt -73.35 77.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.22 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.5 p -141.84 171.44 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 70.1 111.159 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -69.83 -47.66 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 44.01 110.859 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.43 -51.76 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.15 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 70.15 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 43.7 mtt180 -51.94 -30.11 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 62.25 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -57.19 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -60.88 -27.23 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.92 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.89 5.79 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 72.31 111.107 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -93.79 -14.75 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.102 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -131.15 -39.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.889 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.49 -25.84 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 74.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -134.43 20.83 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.41 111.073 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.0 tptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 75.5 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.71 26.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 75.5 111.093 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -102.93 -50.1 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.23 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -65.86 -26.69 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 62.05 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.59 149.9 47.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.902 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 58.98 27.42 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 63.22 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.84 -172.35 46.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 73.14 112.463 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.3 110.894 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -55.94 -26.34 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.01 -47.18 68.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.864 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.596 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 39.4 mtp180 -59.1 -26.24 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 61.45 110.856 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.36 64.42 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -125.46 161.17 27.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 71.03 111.139 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -55.0 -49.01 72.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -52.29 -55.19 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.838 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -55.37 -43.02 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.932 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -64.79 -33.02 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 65.02 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -68.92 -61.22 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -57.22 -27.36 61.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.94 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.68 -19.21 49.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 33.12 111.092 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.48 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.23 111.112 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.76 -58.35 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 51.25 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.907 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -106.65 27.77 8.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.12 110.864 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.14 111.113 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.809 0.338 . . . . 52.12 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 m -51.75 -32.82 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 52.13 111.139 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -25.53 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.2 111.137 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -75.2 -26.25 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.52 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.02 -27.32 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -126.55 -74.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.887 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.66 -148.71 13.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 72.15 112.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -79.47 -43.17 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 75.34 110.92 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 12' ' ' LEU . 5.5 mp -53.88 -39.19 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 71.31 110.904 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 16' ' ' THR . 39.3 t80 -52.06 -50.25 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -55.78 -26.36 45.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.903 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.9 70.3 2.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 63.14 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.9 p -126.93 160.61 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 64.11 111.155 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.14 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.69 -52.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 75.5 110.878 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.3 -54.17 34.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.913 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -56.39 -26.42 53.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.02 -25.85 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 54.22 110.872 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.61 -54.08 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.948 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 27' ' ' ARG . . . -60.43 -30.03 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 71.4 111.132 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.72 -5.44 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.093 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -128.39 -0.28 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.923 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -123.98 -36.17 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.11 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.4 ptt85 -137.58 33.76 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.35 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.04 111.089 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.837 0.351 . . . . 75.51 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.67 76.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 44.35 111.125 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.93 -75.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.41 111.109 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -107.77 -15.86 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.81 -29.99 21.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.24 110.851 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -100.83 -30.71 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.09 171.74 17.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.476 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -74.62 -58.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 52.51 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.92 -35.07 44.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.91 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' THR . 73.0 t80 -52.6 -55.09 24.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.906 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -52.16 -30.36 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 73.31 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.75 68.55 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.1 p -128.69 158.31 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -55.96 -43.45 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.19 -59.21 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 64.15 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.15 -53.33 59.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.874 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -55.75 -25.9 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 53.11 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.09 -25.9 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 70.51 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -75.16 -55.51 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.899 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.811 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -60.21 -29.79 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.095 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.571 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.76 -2.96 38.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 45.15 111.091 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.54 2.64 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -125.28 -36.5 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.55 110.906 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.811 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -133.52 20.16 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.52 110.893 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.3 111.086 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.815 0.34 . . . . 71.41 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 p -114.56 -30.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.146 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.05 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.12 111.066 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.43 -31.48 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 61.2 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -72.71 -53.67 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -55.87 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.25 -147.14 11.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 71.23 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -96.76 -58.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 74.54 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 mt -52.41 -33.39 43.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -52.4 -50.94 61.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -56.13 -26.32 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.41 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.52 58.79 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 52.11 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -122.71 156.17 34.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.174 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -52.22 -47.47 65.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.56 -50.8 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.36 -47.18 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.91 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -52.73 -49.96 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.823 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -49.31 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 63.43 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -51.79 -52.3 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.67 69.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.1 111.093 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -79.27 -5.43 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.41 111.122 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -125.94 -4.91 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 72.32 110.827 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.03 -28.36 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -144.71 43.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.52 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 61.11 111.086 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 73.04 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -170.15 151.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 63.05 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 93.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.131 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 63.77 15.85 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.882 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -128.14 21.99 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -140.41 -42.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.73 153.94 9.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.32 112.525 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.28 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 74.43 110.891 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.86 -39.05 73.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.45 110.934 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' THR . 36.6 t80 -51.94 -50.6 60.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.52 110.958 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -52.01 -33.59 39.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 65.11 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.8 75.6 2.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 31.4 p -142.58 -177.92 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 50.43 111.16 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -81.44 -34.96 31.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 73.45 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.12 -43.34 87.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.03 -46.26 64.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.89 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -62.43 -26.6 68.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 42.43 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -81.29 -55.14 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 70.01 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -52.11 -54.86 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.93 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -58.51 -29.64 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 62.01 111.08 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.565 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.89 -2.81 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 64.22 111.038 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.65 2.69 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.864 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -125.25 -36.47 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.806 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -133.64 20.02 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.87 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 72.53 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.95 -29.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.13 111.12 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -90.9 -34.3 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.11 111.079 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.32 -26.41 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.884 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.03 -30.31 24.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.919 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -125.51 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.855 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -132.64 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 55.43 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -100.56 -53.17 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 55.34 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.03 -37.76 54.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.909 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -55.77 -50.19 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.929 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 48.2 mtp180 -53.19 -30.04 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 73.1 110.858 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -70.01 84.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.959 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.1 p -148.5 160.31 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.146 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -58.66 -51.24 70.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 51.01 110.847 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -54.87 -53.62 53.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.5 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -53.47 -52.4 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.922 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -58.15 -36.52 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 63.15 110.88 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -71.6 -26.7 62.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -83.24 -44.63 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.41 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 70.02 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.09 16.93 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 61.32 111.129 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -139.92 -54.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.44 -49.32 61.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.91 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.63 -38.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 61.14 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.54 111.118 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 pttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.349 . . . . 72.32 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.14 45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 75.22 111.137 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.51 ' HB1' ' NH1' ' A' ' 14' ' ' ARG . . . -132.83 -60.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.44 111.072 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -116.28 -26.06 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.32 110.916 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -52.1 -30.1 24.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -93.25 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.882 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.87 -157.2 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 41.52 112.458 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -93.97 -62.99 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 53.44 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 15' ' ' LEU . 22.3 mt -52.01 -34.28 42.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.23 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' THR . 76.3 t80 -52.09 -52.31 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' HB1' ' A' ' 6' ' ' ALA . 1.1 ttt180 -55.27 -26.48 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.05 110.871 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 12' ' ' LEU . 21.2 mt -83.13 56.05 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 70.53 110.894 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' TYR . 6.6 p -114.3 178.45 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.158 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -76.85 -31.86 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.44 110.875 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.05 -42.67 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.22 110.88 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.29 -27.95 50.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.948 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -73.76 -28.94 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -87.35 -26.35 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.04 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.24 -44.32 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.62 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 72.4 111.126 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.98 16.99 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 64.43 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -139.92 -55.05 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.39 -50.04 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.899 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.85 -37.98 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.855 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.54 111.139 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.872 0.367 . . . . 75.55 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.95 -23.87 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.138 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB2' ' NE ' ' A' ' 14' ' ' ARG . . . -95.07 24.62 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.073 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -111.74 -23.77 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 51.11 110.919 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.88 -25.89 68.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.856 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -141.01 -42.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 60.41 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.96 -166.53 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 74.1 112.504 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -68.51 -42.92 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 75.43 110.882 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.43 -30.46 19.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 16' ' ' THR . 8.3 t80 -68.73 -41.57 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.3 110.881 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.723 ' NE ' ' HB2' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -57.67 -26.07 61.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.04 110.891 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.91 72.75 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.963 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 13' ' ' TYR . 65.2 p -138.31 179.14 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.136 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 t -74.83 -45.9 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.34 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -56.97 -47.3 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.1 -31.89 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -48.1 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.858 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -61.18 -29.4 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.21 -55.84 9.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.912 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HE ' ' A' ' 27' ' ' ARG . . . -60.54 -30.01 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 62.31 111.09 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.51 -5.61 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 52.42 111.09 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.58 -0.14 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.833 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.92 -36.36 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HE ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -137.18 33.66 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.31 110.918 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.03 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.895 0.379 . . . . 75.32 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.68 157.24 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 64.11 111.115 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -96.75 35.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.861 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -84.4 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.11 110.893 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.31 -27.55 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -70.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.21 111.122 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.05 -26.37 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 55.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -56.6 -60.19 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -62.27 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.21 -138.15 4.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.3 112.511 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -103.56 -54.12 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 71.12 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.31 -34.84 48.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.59 -44.85 85.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.31 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -55.51 -29.45 58.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.28 75.03 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.958 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.132 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -53.03 -49.29 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 72.44 110.859 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -52.07 -48.16 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 75.14 110.859 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.97 -45.0 95.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.921 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -27.17 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 65.04 110.865 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -71.78 -61.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 62.41 110.847 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.918 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.22 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.31 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 -32.14 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.25 -67.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -51.44 -49.76 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 65.13 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -103.59 43.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 71.12 110.858 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.22 111.092 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -75.57 -32.7 60.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 71.14 111.147 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 71.53 110.855 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.878 0.371 . . . . 64.55 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.17 147.83 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 72.23 111.101 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -121.76 -69.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.89 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 26.03 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.857 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.57 -25.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 64.42 111.173 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.54 -64.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 62.15 111.055 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.41 -24.9 61.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.62 161.96 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm 60.55 32.05 20.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.62 -171.66 4.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 74.51 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -82.1 -33.26 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.1 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.93 -30.04 22.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.955 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.8 -45.09 94.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -56.35 -26.99 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.851 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.43 60.21 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.951 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -69.94 -37.91 76.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 64.43 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -64.77 -48.05 75.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 71.24 110.883 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.45 -53.54 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -56.37 -25.79 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 63.34 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -87.14 -23.09 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.51 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -83.23 -48.4 10.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.947 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.687 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.17 -20.76 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 61.52 111.129 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.3 13.64 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 70.35 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.74 -52.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.52 110.881 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.62 -35.52 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.881 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -147.46 -43.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 60.13 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.19 17.17 9.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.3 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -78.64 -30.33 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 73.4 111.133 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.687 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.6 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.877 0.37 . . . . 74.34 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB3' HH21 ' A' ' 14' ' ' ARG . . . -76.52 103.28 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.03 111.093 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -106.13 -50.41 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.947 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -69.37 -43.42 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.47 -25.72 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.1 111.119 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.87 26.66 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 53.13 111.122 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -115.2 -26.88 7.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 41.24 110.94 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.43 -28.12 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -122.49 -73.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 63.33 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.31 -140.31 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 24.42 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -91.24 -49.34 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 75.41 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.61 -33.54 46.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.58 -44.23 76.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 71.4 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.456 HH21 ' HB3' ' A' ' 2' ' ' ALA . 54.6 mtp180 -56.1 -28.89 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.15 110.875 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.52 79.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.924 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -145.46 162.22 37.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 54.54 111.176 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -58.64 -51.67 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.54 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -52.18 -48.63 64.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.54 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.68 -37.15 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.35 110.95 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.44 -31.29 69.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -74.74 -24.0 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -83.27 -47.73 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.923 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.08 -20.33 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.55 111.097 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.48 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -140.95 -52.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.87 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -36.05 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 64.05 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -147.16 -44.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.837 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.45 17.02 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -78.06 -30.48 49.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.43 111.141 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.688 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.2 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.901 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 63.4 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.1 110.0 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.44 111.093 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.563 ' O ' HG13 ' A' ' 5' ' ' VAL . 10.6 tt0 -104.57 70.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 72.33 110.88 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mttp 54.44 29.34 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 55.42 110.863 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 3' ' ' GLU . 25.0 m -113.19 -28.46 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.088 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB1' ' CD ' ' A' ' 14' ' ' ARG . . . -72.09 -57.84 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.41 111.111 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.62 -27.06 57.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.1 110.935 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.46 159.49 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp 58.6 28.66 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.79 -154.07 37.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 54.41 112.506 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -104.89 -35.95 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.23 110.923 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -27.77 64.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 72.24 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.18 -44.01 71.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CD ' ' HB1' ' A' ' 6' ' ' ALA . 52.1 mtp180 -56.37 -27.87 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.825 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.75 76.62 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 p -139.58 179.94 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -74.86 -50.91 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.17 -49.24 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -54.01 -59.66 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -54.67 -32.76 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.24 -26.08 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -83.21 -46.4 12.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 71.52 110.93 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.04 -20.25 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 65.53 111.087 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.42 13.52 17.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.41 111.072 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -141.04 -52.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.861 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.66 -35.69 43.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 64.55 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -147.51 -44.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.44 16.94 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.139 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -77.98 -30.51 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 61.33 111.149 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.684 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 45.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.924 0.392 . . . . 61.32 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.57 132.65 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.24 26.46 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -100.77 -41.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 71.03 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 m -98.75 -28.26 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.21 111.126 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.3 133.66 42.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 52.44 111.075 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 63.7 15.91 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.923 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.71 -57.65 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -59.69 -26.53 65.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 50.04 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.86 172.54 18.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 61.12 112.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -86.03 -56.38 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 73.15 110.862 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.5 mt -58.27 -26.07 62.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 16' ' ' THR . 37.7 t80 -52.13 -59.15 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -58.61 -25.89 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 61.51 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 12' ' ' LEU . 44.1 mt -76.55 66.93 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' TYR . 12.2 p -126.25 160.83 29.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -32.97 74.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -71.17 -47.06 59.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.822 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -52.14 -52.38 52.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.938 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -57.07 -28.49 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -84.51 -23.42 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -83.16 -48.23 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.43 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.11 -19.87 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 74.24 111.096 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.13 13.11 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 70.11 111.078 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -141.08 -52.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 72.33 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.64 -32.85 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.53 110.887 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -150.71 -44.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.84 16.66 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.133 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -77.52 -30.58 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 50.31 111.179 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.683 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.1 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 71.01 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.94 108.25 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 61.23 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -122.61 -36.16 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 72.23 110.877 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -26.75 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.93 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.59 -25.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 64.53 111.124 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' ' 14' ' ' ARG . . . -116.68 27.8 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.53 111.117 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -116.48 -25.82 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 70.5 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -66.06 -26.3 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.57 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.43 -143.96 7.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 52.25 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -94.33 -50.5 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 73.45 110.828 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.75 -26.94 37.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 16' ' ' THR . 50.3 t80 -54.0 -37.28 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 55.34 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' HB1' ' A' ' 6' ' ' ALA . 25.8 mtt180 -69.47 -25.89 64.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.63 66.08 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.23 110.949 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 13' ' ' TYR . 80.7 p -130.83 -175.72 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -77.61 -50.99 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.55 -46.24 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -52.85 -42.21 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.924 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.94 -52.8 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 70.3 110.9 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.42 -26.22 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.08 -21.24 56.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.32 110.947 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.664 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -115.3 4.84 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.41 111.107 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.24 -5.89 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.111 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.31 -47.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.14 110.846 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.68 -39.18 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 75.2 110.84 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -145.35 -45.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.2 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.36 17.0 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.14 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -79.38 -30.17 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 45.8 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.05 110.835 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.1 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.914 0.387 . . . . 74.42 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.22 62.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -113.1 -26.32 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -83.04 -27.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.3 43.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.096 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.56 -42.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 61.43 111.093 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.31 -26.25 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.14 -30.01 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.42 110.908 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -128.21 -69.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.99 -142.63 6.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 53.23 112.464 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -94.22 -44.13 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 74.14 110.913 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.91 -31.42 69.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 44.51 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -55.6 -44.43 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -59.45 -28.34 66.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.61 74.24 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 p -138.42 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.2 111.117 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -55.75 -51.38 67.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 52.3 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.03 -42.47 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.73 -43.68 75.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.41 110.935 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.854 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -57.24 4.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 62.13 110.862 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -55.43 -42.36 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 65.4 110.918 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -69.4 -11.36 60.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 71.23 111.078 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.05 0.86 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 63.2 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -129.84 -49.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.857 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.4 -37.47 48.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 52.54 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -147.05 -45.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.86 15.91 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 71.43 111.074 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -76.71 -30.7 56.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 52.42 111.13 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.659 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.902 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.389 . . . . 73.53 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.823 ' HB1' ' HB2' ' A' ' 6' ' ' ALA . . . -128.67 118.04 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 62.4 111.1 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -121.64 -43.1 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -110.59 -35.29 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.867 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.18 43.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.33 111.159 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.823 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . . . -123.69 -47.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 54.41 111.099 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -28.85 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.934 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.55 150.01 5.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt 56.58 27.94 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.91 171.29 23.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.454 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -66.86 -31.7 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 74.01 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.21 -26.15 60.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 64.52 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' THR . 48.3 t80 -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 75.34 110.889 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.678 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 22.2 mtt180 -56.87 -27.62 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 63.21 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.11 60.13 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.931 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' TYR . 1.8 p -114.8 176.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 70.3 111.142 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.43 -38.92 59.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 61.04 110.849 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -66.45 -46.63 75.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -53.16 -50.21 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.31 110.906 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -59.03 -26.21 64.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.55 110.917 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -53.72 6.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -55.75 -41.09 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 64.14 110.938 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -69.81 -10.98 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 52.32 111.054 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.79 1.11 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 70.2 111.093 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -129.55 -49.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.953 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.45 -37.13 47.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -147.01 -45.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.93 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.85 15.87 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.095 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -76.65 -30.72 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.35 111.094 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.1 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 73.35 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.36 . . . . 73.41 110.933 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.62 37.2 19.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.086 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.21 45.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.91 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 52.28 41.12 30.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 71.11 110.878 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.94 -30.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.2 111.143 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.553 ' HB1' ' HE ' ' A' ' 14' ' ' ARG . . . -78.68 -35.82 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 31.11 111.081 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.38 -26.2 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.04 110.954 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -90.11 -176.73 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 55.67 29.22 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.19 -162.88 53.85 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 71.53 112.476 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -97.78 -38.45 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.944 0.402 . . . . 73.12 110.882 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.94 -27.01 40.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 63.13 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.01 -43.4 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.872 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HE ' ' HB1' ' A' ' 6' ' ' ALA . 43.6 mtp180 -57.66 -33.07 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.2 78.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 p -141.13 164.88 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.34 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 -50.23 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.848 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -52.25 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 73.11 110.83 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.91 -41.66 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.953 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -67.21 -26.43 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.905 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -81.41 -52.27 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -58.02 -27.69 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.914 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.07 -15.55 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 51.33 111.088 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 -27.91 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 72.12 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.97 -54.51 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.4 -42.08 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.908 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -106.61 34.6 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.55 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.53 -63.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.1 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -72.85 -33.02 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.078 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 63.42 110.896 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.872 0.368 . . . . 72.22 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.25 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 73.53 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -101.81 -63.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.919 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -30.69 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.6 -26.79 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.24 111.11 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -59.3 -68.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.21 111.04 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.37 -28.72 69.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.42 110.952 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -56.88 153.43 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 54.9 30.97 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.12 110.886 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 179.54 49.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 71.4 112.508 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -82.19 -34.61 28.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 72.25 110.879 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.05 -26.97 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.55 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' THR . 64.0 t80 -52.13 -45.13 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.31 110.97 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 82.1 mtp180 -60.49 -30.68 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 63.52 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.45 67.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 54.55 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 13' ' ' TYR . 21.7 p -128.41 -178.19 4.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 74.54 111.138 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -84.34 -27.98 27.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.22 110.818 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -76.37 -39.81 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.1 -42.89 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.953 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -68.32 -36.05 78.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 64.32 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.94 -27.79 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -83.2 -37.82 23.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.13 110.894 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 -24.83 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 33.01 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.17 -22.69 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 52.33 111.126 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.88 -53.44 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.888 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -41.4 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.53 28.55 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.22 110.877 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.35 111.084 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 t -64.21 -31.84 73.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 64.21 111.163 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.908 0.385 . . . . 54.13 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.3 -172.35 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 62.42 111.09 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -95.69 25.64 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.42 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -45.76 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.21 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.94 -22.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.14 111.099 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.45 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 70.42 111.056 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -92.55 -25.79 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 62.23 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.61 141.45 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.21 110.912 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt 58.53 24.54 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.8 -168.99 52.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.471 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -78.81 -28.91 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 73.41 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 15' ' ' LEU . 4.9 mt -51.63 -40.53 60.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 16' ' ' THR . 30.9 t80 -52.06 -49.31 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -52.22 -29.91 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 75.01 110.831 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 12' ' ' LEU . 27.1 mt -77.52 61.45 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.945 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 13' ' ' TYR . 7.8 p -122.85 155.79 35.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.35 111.12 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -52.37 -47.99 65.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.836 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -54.03 -52.44 60.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.869 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -52.26 -44.72 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.91 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -52.2 -33.4 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.809 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -86.8 -44.28 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.33 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.61 -33.4 69.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.33 110.931 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.56 2.27 53.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 62.2 111.12 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -91.03 -9.63 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 62.42 111.121 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -136.17 -41.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -82.08 -20.79 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -145.88 24.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . -53.7 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.41 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -99.44 -29.37 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 64.41 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 70.11 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.891 0.377 . . . . 70.43 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.03 29.85 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 71.44 111.073 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -108.11 -26.27 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.91 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -115.93 -26.36 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 63.04 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.72 -50.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.1 111.132 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.24 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.25 111.116 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -52.77 -29.38 26.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.67 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.86 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -52.17 -71.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.02 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.29 -161.52 34.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 74.4 112.473 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -81.31 -53.22 6.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 73.12 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 15' ' ' LEU . 20.6 mt -52.48 -41.1 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' THR . 60.0 t80 -52.18 -54.3 32.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -52.12 -31.35 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.11 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 12' ' ' LEU . 26.7 mt -73.35 77.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.22 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.5 p -141.84 171.44 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 70.1 111.159 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -69.83 -47.66 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 44.01 110.859 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.43 -51.76 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.15 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 70.15 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 43.7 mtt180 -51.94 -30.11 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 62.25 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -57.19 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -60.88 -27.23 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.92 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.89 5.79 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 72.31 111.107 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -93.79 -14.75 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.102 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -131.15 -39.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.889 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.49 -25.84 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 74.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -134.43 20.83 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . -51.58 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.41 111.073 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -103.43 -28.72 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.117 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 70.44 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.865 0.364 . . . . 71.22 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.03 159.36 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 52.24 111.091 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -125.47 29.19 6.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.854 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -112.99 -31.46 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.86 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.71 26.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 75.5 111.093 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -102.93 -50.1 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.23 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -65.86 -26.69 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 62.05 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.59 149.9 47.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.902 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 58.98 27.42 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 63.22 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.84 -172.35 46.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 73.14 112.463 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.3 110.894 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -55.94 -26.34 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.01 -47.18 68.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.864 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.596 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 39.4 mtp180 -59.1 -26.24 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 61.45 110.856 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.36 64.42 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -125.46 161.17 27.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 71.03 111.139 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -55.0 -49.01 72.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -52.29 -55.19 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.838 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -55.37 -43.02 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.932 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -64.79 -33.02 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 65.02 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -68.92 -61.22 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -57.22 -27.36 61.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.94 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.68 -19.21 49.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 33.12 111.092 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.48 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.23 111.112 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.76 -58.35 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 51.25 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.907 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -106.65 27.77 8.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.12 110.864 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.02 -72.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.14 111.113 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 t -60.39 -31.86 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 60.33 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.5 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.913 0.387 . . . . 75.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.37 135.04 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 73.11 111.064 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -132.77 -60.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.901 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -109.39 -26.1 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 52.12 110.887 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 m -51.75 -32.82 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 52.13 111.139 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -25.53 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.2 111.137 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -75.2 -26.25 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.52 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.02 -27.32 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -126.55 -74.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.887 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.66 -148.71 13.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 72.15 112.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -79.47 -43.17 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 75.34 110.92 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 12' ' ' LEU . 5.5 mp -53.88 -39.19 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 71.31 110.904 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 16' ' ' THR . 39.3 t80 -52.06 -50.25 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -55.78 -26.36 45.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.903 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.9 70.3 2.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 63.14 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.9 p -126.93 160.61 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 64.11 111.155 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.14 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.69 -52.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 75.5 110.878 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.3 -54.17 34.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.913 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -56.39 -26.42 53.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.02 -25.85 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 54.22 110.872 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.61 -54.08 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.948 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 27' ' ' ARG . . . -60.43 -30.03 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 71.4 111.132 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.72 -5.44 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.093 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -128.39 -0.28 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.923 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -123.98 -36.17 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.11 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.4 ptt85 -137.58 33.76 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.35 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . -73.87 -72.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.04 111.089 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -103.9 -27.73 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 74.13 111.17 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.909 0.385 . . . . 71.21 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.14 109.61 13.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 71.2 111.114 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -60.59 -31.76 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 52.43 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -52.37 -30.72 30.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.862 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.67 76.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 44.35 111.125 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.93 -75.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.41 111.109 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -107.77 -15.86 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.81 -29.99 21.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.24 110.851 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -100.83 -30.71 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.09 171.74 17.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.476 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -74.62 -58.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 52.51 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.92 -35.07 44.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.91 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' THR . 73.0 t80 -52.6 -55.09 24.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.906 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -52.16 -30.36 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 73.31 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.75 68.55 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.1 p -128.69 158.31 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -55.96 -43.45 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.19 -59.21 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 64.15 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.15 -53.33 59.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.874 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -55.75 -25.9 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 53.11 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.09 -25.9 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 70.51 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -75.16 -55.51 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.899 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.811 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -60.21 -29.79 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.095 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.571 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.76 -2.96 38.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 45.15 111.091 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.54 2.64 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -125.28 -36.5 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.55 110.906 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.811 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -133.52 20.16 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.52 110.893 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . -60.61 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.3 111.086 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -102.15 -27.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 54.24 111.134 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.879 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.915 0.388 . . . . 75.41 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.71 22.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 72.5 111.07 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -116.89 65.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.877 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.86 36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 71.41 110.864 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 p -114.56 -30.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.146 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.05 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.12 111.066 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.43 -31.48 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 61.2 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -72.71 -53.67 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -55.87 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.25 -147.14 11.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 71.23 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -96.76 -58.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 74.54 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 mt -52.41 -33.39 43.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -52.4 -50.94 61.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -56.13 -26.32 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.41 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.52 58.79 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 52.11 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -122.71 156.17 34.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.174 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -52.22 -47.47 65.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.56 -50.8 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.36 -47.18 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.91 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -52.73 -49.96 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.823 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -49.31 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 63.43 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -51.79 -52.3 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.67 69.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.1 111.093 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -79.27 -5.43 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.41 111.122 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -125.94 -4.91 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 72.32 110.827 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.03 -28.36 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -144.71 43.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.52 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -88.27 -75.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 61.11 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -95.28 -24.61 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.14 111.158 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 72.02 110.895 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 73.32 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.18 91.43 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.12 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -164.22 -40.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 65.52 110.928 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -152.15 25.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.924 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -170.15 151.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 63.05 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 93.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.131 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 63.77 15.85 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.882 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -128.14 21.99 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -140.41 -42.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.73 153.94 9.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.32 112.525 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.28 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 74.43 110.891 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.86 -39.05 73.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.45 110.934 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' THR . 36.6 t80 -51.94 -50.6 60.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.52 110.958 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -52.01 -33.59 39.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 65.11 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.8 75.6 2.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 31.4 p -142.58 -177.92 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 50.43 111.16 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -81.44 -34.96 31.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 73.45 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.12 -43.34 87.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.03 -46.26 64.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.89 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -62.43 -26.6 68.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 42.43 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -81.29 -55.14 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 70.01 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -52.11 -54.86 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.93 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -58.51 -29.64 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 62.01 111.08 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.89 -2.81 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 64.22 111.038 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.65 2.69 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.864 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -125.25 -36.47 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.806 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -133.64 20.02 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.87 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . -60.35 -76.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.127 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -102.26 -27.84 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 54.33 111.173 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 71.33 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.923 0.392 . . . . 63.21 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.51 97.42 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 54.41 111.078 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -123.07 -62.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 72.4 110.855 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.93 33.51 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.882 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.95 -29.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.13 111.12 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -90.9 -34.3 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.11 111.079 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.32 -26.41 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.884 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.03 -30.31 24.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.919 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -125.51 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.855 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -132.64 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 55.43 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -100.56 -53.17 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 55.34 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.03 -37.76 54.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.909 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -55.77 -50.19 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.929 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 48.2 mtp180 -53.19 -30.04 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 73.1 110.858 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -70.01 84.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.959 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.1 p -148.5 160.31 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.146 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -58.66 -51.24 70.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 51.01 110.847 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -54.87 -53.62 53.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.5 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -53.47 -52.4 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.922 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -58.15 -36.52 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 63.15 110.88 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -71.6 -26.7 62.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -83.24 -44.63 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.41 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 70.02 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.09 16.93 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 61.32 111.129 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -139.92 -54.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.44 -49.32 61.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.91 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.63 -38.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 61.14 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.13 18.2 8.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.54 111.118 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' THR . 3.8 m -89.87 12.02 18.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.138 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.921 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 75.54 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB1' HG22 ' A' ' 5' ' ' VAL . . . -55.5 101.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 62.42 111.097 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -91.21 -26.41 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.885 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -62.71 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.408 HG22 ' HB1' ' A' ' 2' ' ' ALA . 31.2 m -121.14 45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 75.22 111.137 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' HB1' ' NH1' ' A' ' 14' ' ' ARG . . . -132.83 -60.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.44 111.072 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -116.28 -26.06 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.32 110.916 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -52.1 -30.1 24.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -93.25 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.882 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.87 -157.2 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 41.52 112.458 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -93.97 -62.99 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 53.44 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 15' ' ' LEU . 22.3 mt -52.01 -34.28 42.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.23 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' THR . 76.3 t80 -52.09 -52.31 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' HB1' ' A' ' 6' ' ' ALA . 1.1 ttt180 -55.27 -26.48 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.05 110.871 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 12' ' ' LEU . 21.2 mt -83.13 56.05 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 70.53 110.894 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' TYR . 6.6 p -114.3 178.45 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.158 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -76.85 -31.86 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.44 110.875 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.05 -42.67 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.22 110.88 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.29 -27.95 50.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.948 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -73.76 -28.94 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -87.35 -26.35 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.04 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.24 -44.32 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.62 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 72.4 111.126 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.98 16.99 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 64.43 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -139.92 -55.05 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.39 -50.04 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.899 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.85 -37.98 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.855 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.9 18.26 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.54 111.139 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' THR . 3.8 m -89.75 11.81 18.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.138 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.894 0.378 . . . . 71.53 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 62.14 111.101 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -108.41 -31.35 7.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.874 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -53.38 -28.61 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.95 -23.87 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.138 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB2' ' NE ' ' A' ' 14' ' ' ARG . . . -95.07 24.62 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.073 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -111.74 -23.77 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 51.11 110.919 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.88 -25.89 68.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.856 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -141.01 -42.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 60.41 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.96 -166.53 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 74.1 112.504 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -68.51 -42.92 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 75.43 110.882 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.43 -30.46 19.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 16' ' ' THR . 8.3 t80 -68.73 -41.57 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.3 110.881 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.723 ' NE ' ' HB2' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -57.67 -26.07 61.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.04 110.891 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.91 72.75 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.963 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 13' ' ' TYR . 65.2 p -138.31 179.14 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.136 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 t -74.83 -45.9 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.34 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -56.97 -47.3 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.1 -31.89 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -48.1 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.858 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -61.18 -29.4 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.21 -55.84 9.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.912 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HE ' ' A' ' 27' ' ' ARG . . . -60.54 -30.01 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 62.31 111.09 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.51 -5.61 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 52.42 111.09 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.58 -0.14 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.833 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.92 -36.36 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HE ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -137.18 33.66 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.31 110.918 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -74.55 -72.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.03 111.077 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -104.3 -27.84 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 53.15 111.121 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.894 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.822 0.344 . . . . 73.109999999999999 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.31 -27.55 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -70.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.209999999999994 111.122 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.05 -26.37 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 55.109999999999999 110.928 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -56.6 -60.19 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -62.27 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 75.450000000000003 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.21 -138.15 4.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.299999999999997 112.511 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -103.56 -54.12 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 71.120000000000005 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.31 -34.84 48.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.59 -44.85 85.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.310000000000002 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -55.51 -29.45 58.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 73.120000000000005 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.28 75.03 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 110.958 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 111.132 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -53.03 -49.29 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 72.439999999999998 110.859 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -52.07 -48.16 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.859 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.97 -45.0 95.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 110.921 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -27.17 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 65.040000000000006 110.865 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -71.78 -61.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 62.409999999999997 110.847 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.918 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.22 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.310000000000002 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 -32.14 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.25 -67.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -51.44 -49.76 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 65.129999999999995 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -103.59 43.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 71.120000000000005 110.858 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.219999999999999 111.092 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.57 -25.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 64.420000000000002 111.173 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.54 -64.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 62.149999999999999 111.055 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.41 -24.9 61.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.450000000000003 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.62 161.96 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm 60.55 32.05 20.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 64.510000000000005 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.62 -171.66 4.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 74.510000000000005 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -82.1 -33.26 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.100000000000001 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.93 -30.04 22.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.150000000000006 110.955 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.8 -45.09 94.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.420000000000002 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -56.35 -26.99 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 72.129999999999995 110.851 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.43 60.21 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.951 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -69.94 -37.91 76.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 64.430000000000007 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -64.77 -48.05 75.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 71.239999999999995 110.883 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.45 -53.54 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -56.37 -25.79 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 63.340000000000003 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -87.14 -23.09 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -83.23 -48.4 10.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 61.210000000000001 110.947 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.17 -20.76 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 61.520000000000003 111.129 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.3 13.64 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 70.349999999999994 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.74 -52.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.519999999999996 110.881 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.62 -35.52 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.881 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -147.46 -43.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 60.130000000000003 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.299999999999997 111.085 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 73.129999999999995 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.47 -25.72 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.100000000000001 111.119 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.87 26.66 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 53.130000000000003 111.122 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -115.2 -26.88 7.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 41.240000000000002 110.94 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.43 -28.12 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -122.49 -73.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 63.329999999999998 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.31 -140.31 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 24.420000000000002 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -91.24 -49.34 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 75.409999999999997 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.61 -33.54 46.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.58 -44.23 76.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -56.1 -28.89 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.150000000000006 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.52 79.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.924 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -145.46 162.22 37.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 54.539999999999999 111.176 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -58.64 -51.67 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.540000000000006 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -52.18 -48.63 64.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.540000000000006 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.68 -37.15 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.349999999999994 110.95 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.44 -31.29 69.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -74.74 -24.0 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.319999999999993 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -83.27 -47.73 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 74.150000000000006 110.923 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.33 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.549999999999997 111.097 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.48 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -140.95 -52.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.450000000000003 110.87 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -36.05 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 64.049999999999997 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -147.16 -44.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.420000000000002 110.837 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.079 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.778 0.323 . . . . 55.420000000000002 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 m -113.19 -28.46 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB1' ' CD ' ' A' ' 14' ' ' ARG . . . -72.09 -57.84 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.409999999999997 111.111 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.62 -27.06 57.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.099999999999994 110.935 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.46 159.49 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp 58.6 28.66 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.79 -154.07 37.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 54.409999999999997 112.506 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -104.89 -35.95 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.230000000000004 110.923 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -27.77 64.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 72.239999999999995 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.18 -44.01 71.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CD ' ' HB1' ' A' ' 6' ' ' ALA . 52.1 mtp180 -56.37 -27.87 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 70.140000000000001 110.825 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.75 76.62 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.010000000000005 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 p -139.58 179.94 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -74.86 -50.91 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 71.040000000000006 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.17 -49.24 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -54.01 -59.66 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -54.67 -32.76 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.24 -26.08 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -83.21 -46.4 12.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 71.519999999999996 110.93 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.04 -20.25 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 65.530000000000001 111.087 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.42 13.52 17.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.409999999999997 111.072 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -141.04 -52.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.861 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.66 -35.69 43.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 64.549999999999997 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -147.51 -44.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.139 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 71.030000000000001 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 m -98.75 -28.26 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.209999999999994 111.126 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.3 133.66 42.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 52.439999999999998 111.075 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 63.7 15.91 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.340000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.71 -57.65 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 75.450000000000003 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -59.69 -26.53 65.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 50.039999999999999 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.86 172.54 18.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 61.119999999999997 112.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -86.03 -56.38 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 73.150000000000006 110.862 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.5 mt -58.27 -26.07 62.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 16' ' ' THR . 37.7 t80 -52.13 -59.15 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -58.61 -25.89 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 61.509999999999998 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 12' ' ' LEU . 44.1 mt -76.55 66.93 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' TYR . 12.2 p -126.25 160.83 29.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 73.150000000000006 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -32.97 74.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -71.17 -47.06 59.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.822 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -52.14 -52.38 52.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.938 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -57.07 -28.49 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -84.51 -23.42 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.409999999999997 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -83.16 -48.23 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 -19.87 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.13 13.11 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 70.109999999999999 111.078 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -141.08 -52.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.64 -32.85 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.887 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -150.71 -44.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.200000000000003 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 111.133 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.829 0.347 . . . . 74.409999999999997 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.59 -25.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 64.530000000000001 111.124 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' ' 14' ' ' ARG . . . -116.68 27.8 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 111.117 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -116.48 -25.82 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 70.5 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -66.06 -26.3 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.57 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.43 -143.96 7.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 52.25 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -94.33 -50.5 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 73.450000000000003 110.828 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.75 -26.94 37.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 16' ' ' THR . 50.3 t80 -54.0 -37.28 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 55.340000000000003 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' HB1' ' A' ' 6' ' ' ALA . 25.8 mtt180 -69.47 -25.89 64.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.019999999999996 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.63 66.08 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.229999999999997 110.949 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 13' ' ' TYR . 80.7 p -130.83 -175.72 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -77.61 -50.99 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.55 -46.24 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -52.85 -42.21 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.924 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.94 -52.8 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 70.299999999999997 110.9 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.42 -26.22 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.08 -21.24 56.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.319999999999993 110.947 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 4.84 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 111.107 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.24 -5.89 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 111.111 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.31 -47.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.140000000000001 110.846 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.68 -39.18 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 75.200000000000003 110.84 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -145.35 -45.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.200000000000003 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.140000000000001 111.129 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.844 0.354 . . . . 75.510000000000005 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.3 43.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 62.009999999999998 111.096 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.56 -42.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 61.43 111.093 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.31 -26.25 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.14 -30.01 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.420000000000002 110.908 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -128.21 -69.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.99 -142.63 6.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 53.229999999999997 112.464 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -94.22 -44.13 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 74.140000000000001 110.913 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.91 -31.42 69.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 44.509999999999998 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -55.6 -44.43 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -59.45 -28.34 66.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.61 74.24 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 p -138.42 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.200000000000003 111.117 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -55.75 -51.38 67.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 52.299999999999997 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.03 -42.47 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.73 -43.68 75.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.935 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.854 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -57.24 4.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 62.130000000000003 110.862 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -55.43 -42.36 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 65.400000000000006 110.918 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.4 -11.36 60.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 71.230000000000004 111.078 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.05 0.86 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 63.200000000000003 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -129.84 -49.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.857 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.4 -37.47 48.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 52.539999999999999 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -147.05 -45.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.074 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 72.209999999999994 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.18 43.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.678 ' HB1' ' CZ ' ' A' ' 14' ' ' ARG . . . -123.69 -47.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 54.409999999999997 111.099 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -28.85 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 110.934 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.55 150.01 5.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt 56.58 27.94 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.91 171.29 23.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 52.109999999999999 112.454 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -66.86 -31.7 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 74.010000000000005 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.21 -26.15 60.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 64.519999999999996 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' THR . 48.3 t80 -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 110.889 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.678 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 22.2 mtt180 -56.87 -27.62 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 63.210000000000001 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.11 60.13 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.931 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' TYR . 1.8 p -114.8 176.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 70.299999999999997 111.142 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.43 -38.92 59.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 61.039999999999999 110.849 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -66.45 -46.63 75.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -53.16 -50.21 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.310000000000002 110.906 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -59.03 -26.21 64.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.549999999999997 110.917 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -53.72 6.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.010000000000005 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -55.75 -41.09 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.938 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.81 -10.98 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 52.32 111.054 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.79 1.11 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 70.200000000000003 111.093 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -129.55 -49.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.329999999999998 110.953 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.45 -37.13 47.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -147.01 -45.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.93 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 70.109999999999999 111.095 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 71.109999999999999 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.94 -30.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.200000000000003 111.143 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.553 ' HB1' ' HE ' ' A' ' 14' ' ' ARG . . . -78.68 -35.82 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 31.109999999999999 111.081 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.38 -26.2 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.040000000000006 110.954 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -90.11 -176.73 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 55.67 29.22 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.19 -162.88 53.85 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 71.530000000000001 112.476 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -97.78 -38.45 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.944 0.402 . . . . 73.120000000000005 110.882 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.94 -27.01 40.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 63.130000000000003 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.01 -43.4 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.872 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HE ' ' HB1' ' A' ' 6' ' ' ALA . 43.6 mtp180 -57.66 -33.07 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.2 78.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 p -141.13 164.88 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 -50.23 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 110.848 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -52.25 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 73.109999999999999 110.83 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.91 -41.66 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 110.953 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -67.21 -26.43 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -81.41 -52.27 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -58.02 -27.69 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.914 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.07 -15.55 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 51.329999999999998 111.088 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 -27.91 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 72.120000000000005 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.97 -54.51 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.4 -42.08 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.908 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -106.61 34.6 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.549999999999997 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.117 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 72.120000000000005 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.6 -26.79 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.239999999999995 111.11 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -59.3 -68.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.04 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.37 -28.72 69.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.420000000000002 110.952 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -56.88 153.43 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 54.9 30.97 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.886 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 179.54 49.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 71.400000000000006 112.508 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -82.19 -34.61 28.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 72.25 110.879 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.05 -26.97 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.549999999999997 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' THR . 64.0 t80 -52.13 -45.13 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.310000000000002 110.97 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 82.1 mtp180 -60.49 -30.68 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 63.520000000000003 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.45 67.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 54.549999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 13' ' ' TYR . 21.7 p -128.41 -178.19 4.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 74.540000000000006 111.138 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -84.34 -27.98 27.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.219999999999999 110.818 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -76.37 -39.81 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.1 -42.89 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.953 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -68.32 -36.05 78.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 64.319999999999993 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -67.94 -27.79 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 63.439999999999998 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -83.2 -37.82 23.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.129999999999995 110.894 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 -24.83 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 33.009999999999998 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.17 -22.69 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 52.329999999999998 111.126 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.88 -53.44 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 65.219999999999999 110.888 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -41.4 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.53 28.55 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.877 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.350000000000001 111.084 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 72.209999999999994 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.94 -22.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 111.099 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.45 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 70.420000000000002 111.056 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -92.55 -25.79 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 62.229999999999997 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.61 141.45 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 110.912 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt 58.53 24.54 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.8 -168.99 52.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 74.329999999999998 112.471 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -78.81 -28.91 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 73.409999999999997 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 15' ' ' LEU . 4.9 mt -51.63 -40.53 60.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 16' ' ' THR . 30.9 t80 -52.06 -49.31 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -52.22 -29.91 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 75.010000000000005 110.831 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 12' ' ' LEU . 27.1 mt -77.52 61.45 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.945 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 13' ' ' TYR . 7.8 p -122.85 155.79 35.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 111.12 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -52.37 -47.99 65.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 72.219999999999999 110.836 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -54.03 -52.44 60.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.869 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -52.26 -44.72 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.91 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -52.2 -33.4 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 110.809 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -86.8 -44.28 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.61 -33.4 69.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.329999999999998 110.931 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.56 2.27 53.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 62.200000000000003 111.12 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -91.03 -9.63 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 111.121 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -136.17 -41.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -82.08 -20.79 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -145.88 24.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.409999999999997 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 63.039999999999999 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.72 -50.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.099999999999994 111.132 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.24 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.25 111.116 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -52.77 -29.38 26.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.921 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.67 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.86 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -52.17 -71.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.29 -161.52 34.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 74.400000000000006 112.473 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -81.31 -53.22 6.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 15' ' ' LEU . 20.6 mt -52.48 -41.1 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 74.219999999999999 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' THR . 60.0 t80 -52.18 -54.3 32.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -52.12 -31.35 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 12' ' ' LEU . 26.7 mt -73.35 77.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.219999999999999 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.5 p -141.84 171.44 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 70.099999999999994 111.159 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -69.83 -47.66 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 44.009999999999998 110.859 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.43 -51.76 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.15 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 70.150000000000006 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 43.7 mtt180 -51.94 -30.11 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 62.25 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -57.19 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.450000000000003 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -60.88 -27.23 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.92 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.89 5.79 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 72.310000000000002 111.107 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -93.79 -14.75 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 70.340000000000003 111.102 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -131.15 -39.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.889 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.49 -25.84 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 74.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -134.43 20.83 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.409999999999997 111.073 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.0 tptt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 75.5 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.71 26.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 75.5 111.093 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -102.93 -50.1 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -65.86 -26.69 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 62.049999999999997 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.59 149.9 47.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.902 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 58.98 27.42 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 63.219999999999999 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.84 -172.35 46.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 73.140000000000001 112.463 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.299999999999997 110.894 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -55.94 -26.34 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.030000000000001 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.01 -47.18 68.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.864 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.596 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 39.4 mtp180 -59.1 -26.24 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 61.450000000000003 110.856 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.36 64.42 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -125.46 161.17 27.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 71.030000000000001 111.139 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -55.0 -49.01 72.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -52.29 -55.19 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 64.409999999999997 110.838 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -55.37 -43.02 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.932 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -64.79 -33.02 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 65.019999999999996 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -68.92 -61.22 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -57.22 -27.36 61.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.94 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.68 -19.21 49.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 33.119999999999997 111.092 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.48 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 111.112 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.76 -58.35 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 51.25 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.907 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -106.65 27.77 8.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.119999999999997 110.864 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 111.113 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.809 0.338 . . . . 52.119999999999997 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 m -51.75 -32.82 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 52.130000000000003 111.139 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -25.53 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 111.137 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -75.2 -26.25 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.519999999999996 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.02 -27.32 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -126.55 -74.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.887 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.66 -148.71 13.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 72.150000000000006 112.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -79.47 -43.17 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 75.340000000000003 110.92 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 12' ' ' LEU . 5.5 mp -53.88 -39.19 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 71.310000000000002 110.904 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 16' ' ' THR . 39.3 t80 -52.06 -50.25 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 63.009999999999998 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -55.78 -26.36 45.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.120000000000005 110.903 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.9 70.3 2.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 63.140000000000001 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.9 p -126.93 160.61 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 64.109999999999999 111.155 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.14 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.69 -52.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 75.5 110.878 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.3 -54.17 34.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.310000000000002 110.913 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -56.39 -26.42 53.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.239999999999995 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.02 -25.85 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 54.219999999999999 110.872 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.61 -54.08 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 71.409999999999997 110.948 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 27' ' ' ARG . . . -60.43 -30.03 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 71.400000000000006 111.132 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.72 -5.44 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 111.093 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -128.39 -0.28 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.420000000000002 110.923 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -123.98 -36.17 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.109999999999999 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.4 ptt85 -137.58 33.76 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.350000000000001 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.039999999999999 111.089 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.837 0.351 . . . . 75.510000000000005 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.67 76.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 44.350000000000001 111.125 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.93 -75.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.109 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -107.77 -15.86 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.81 -29.99 21.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.239999999999995 110.851 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -100.83 -30.71 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 75.329999999999998 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.09 171.74 17.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.409999999999997 112.476 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -74.62 -58.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 52.509999999999998 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.92 -35.07 44.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.91 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' THR . 73.0 t80 -52.6 -55.09 24.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.906 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -52.16 -30.36 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 73.310000000000002 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.75 68.55 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.530000000000001 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.1 p -128.69 158.31 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -55.96 -43.45 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.19 -59.21 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 64.150000000000006 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.15 -53.33 59.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 74.519999999999996 110.874 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -55.75 -25.9 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 53.109999999999999 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.09 -25.9 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 70.510000000000005 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -75.16 -55.51 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.899 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.811 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -60.21 -29.79 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.319999999999993 111.095 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.571 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.76 -2.96 38.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 45.149999999999999 111.091 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.54 2.64 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -125.28 -36.5 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.906 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.811 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -133.52 20.16 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.519999999999996 110.893 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 111.086 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.815 0.34 . . . . 71.409999999999997 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 p -114.56 -30.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.146 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.05 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 111.066 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.43 -31.48 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 61.200000000000003 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -72.71 -53.67 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 64.319999999999993 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -55.87 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.25 -147.14 11.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 71.230000000000004 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -96.76 -58.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 74.540000000000006 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 mt -52.41 -33.39 43.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -52.4 -50.94 61.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -56.13 -26.32 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.409999999999997 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.52 58.79 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 52.109999999999999 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -122.71 156.17 34.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 111.174 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -52.22 -47.47 65.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.209999999999994 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.56 -50.8 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.420000000000002 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.36 -47.18 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 71.209999999999994 110.91 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -52.73 -49.96 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.319999999999993 110.823 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -49.31 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 63.43 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -51.79 -52.3 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.67 69.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.100000000000001 111.093 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -79.27 -5.43 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 111.122 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -125.94 -4.91 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 72.319999999999993 110.827 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.03 -28.36 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -144.71 43.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.519999999999996 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 61.109999999999999 111.086 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 73.040000000000006 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -170.15 151.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 63.049999999999997 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 93.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.131 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 63.77 15.85 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.882 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -128.14 21.99 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -140.41 -42.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 53.509999999999998 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.73 153.94 9.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.319999999999993 112.525 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.28 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 74.430000000000007 110.891 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.86 -39.05 73.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.450000000000003 110.934 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' THR . 36.6 t80 -51.94 -50.6 60.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.520000000000003 110.958 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -52.01 -33.59 39.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 65.109999999999999 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.8 75.6 2.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 31.4 p -142.58 -177.92 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 50.43 111.16 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -81.44 -34.96 31.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 73.450000000000003 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.12 -43.34 87.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.03 -46.26 64.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.89 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -62.43 -26.6 68.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 42.43 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -81.29 -55.14 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 70.010000000000005 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -52.11 -54.86 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.93 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -58.51 -29.64 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 62.009999999999998 111.08 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.565 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.89 -2.81 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 64.219999999999999 111.038 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.65 2.69 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.864 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -125.25 -36.47 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.806 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -133.64 20.02 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.87 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 72.530000000000001 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.95 -29.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 111.12 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -90.9 -34.3 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 111.079 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.32 -26.41 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.884 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.03 -30.31 24.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.919 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -125.51 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 70.329999999999998 110.855 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -132.64 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 55.43 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -100.56 -53.17 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 55.340000000000003 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.03 -37.76 54.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 71.109999999999999 110.909 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -55.77 -50.19 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.929 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 48.2 mtp180 -53.19 -30.04 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 73.099999999999994 110.858 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -70.01 84.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.119999999999997 110.959 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.1 p -148.5 160.31 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.146 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -58.66 -51.24 70.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 51.009999999999998 110.847 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -54.87 -53.62 53.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.5 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -53.47 -52.4 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.922 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -58.15 -36.52 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 63.149999999999999 110.88 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -71.6 -26.7 62.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -83.24 -44.63 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.41 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 70.019999999999996 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.09 16.93 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 61.32 111.129 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -139.92 -54.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.239999999999995 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.44 -49.32 61.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.91 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.63 -38.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 111.118 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 pttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.349 . . . . 72.319999999999993 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.14 45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 75.219999999999999 111.137 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.51 ' HB1' ' NH1' ' A' ' 14' ' ' ARG . . . -132.83 -60.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 111.072 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -116.28 -26.06 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.32 110.916 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -52.1 -30.1 24.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.420000000000002 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -93.25 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 52.119999999999997 110.882 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.87 -157.2 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 41.520000000000003 112.458 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -93.97 -62.99 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 53.439999999999998 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 15' ' ' LEU . 22.3 mt -52.01 -34.28 42.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' THR . 76.3 t80 -52.09 -52.31 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' HB1' ' A' ' 6' ' ' ALA . 1.1 ttt180 -55.27 -26.48 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.049999999999997 110.871 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 12' ' ' LEU . 21.2 mt -83.13 56.05 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 70.530000000000001 110.894 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' TYR . 6.6 p -114.3 178.45 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 111.158 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -76.85 -31.86 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.439999999999998 110.875 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.05 -42.67 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.219999999999999 110.88 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.29 -27.95 50.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.948 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -73.76 -28.94 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -87.35 -26.35 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.040000000000006 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.24 -44.32 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.62 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 72.400000000000006 111.126 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.98 16.99 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 64.430000000000007 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -139.92 -55.05 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.150000000000006 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.39 -50.04 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 71.450000000000003 110.899 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.85 -37.98 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.855 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.139 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.872 0.367 . . . . 75.549999999999997 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.95 -23.87 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 52.140000000000001 111.138 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB2' ' NE ' ' A' ' 14' ' ' ARG . . . -95.07 24.62 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 111.073 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -111.74 -23.77 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 51.109999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.88 -25.89 68.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.239999999999995 110.856 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -141.01 -42.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 60.409999999999997 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.96 -166.53 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.504 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -68.51 -42.92 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 75.430000000000007 110.882 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.43 -30.46 19.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 16' ' ' THR . 8.3 t80 -68.73 -41.57 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.299999999999997 110.881 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.723 ' NE ' ' HB2' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -57.67 -26.07 61.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.040000000000006 110.891 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.91 72.75 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.299999999999997 110.963 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 13' ' ' TYR . 65.2 p -138.31 179.14 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 111.136 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 t -74.83 -45.9 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.340000000000003 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -56.97 -47.3 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.1 -31.89 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -48.1 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.299999999999997 110.858 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -61.18 -29.4 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.120000000000005 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.21 -55.84 9.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.209999999999994 110.912 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HE ' ' A' ' 27' ' ' ARG . . . -60.54 -30.01 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 62.310000000000002 111.09 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.51 -5.61 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 52.420000000000002 111.09 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.58 -0.14 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.833 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.92 -36.36 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HE ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -137.18 33.66 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.310000000000002 110.918 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.030000000000001 111.077 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.895 0.379 . . . . 75.319999999999993 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.68 157.24 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 64.109999999999999 111.115 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -96.75 35.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 75.129999999999995 110.861 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -84.4 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.109999999999999 110.893 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.31 -27.55 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -70.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.209999999999994 111.122 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.05 -26.37 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 55.109999999999999 110.928 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -56.6 -60.19 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -62.27 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 75.450000000000003 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.21 -138.15 4.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.299999999999997 112.511 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -103.56 -54.12 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 71.120000000000005 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.31 -34.84 48.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.59 -44.85 85.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.310000000000002 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -55.51 -29.45 58.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 73.120000000000005 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.28 75.03 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 110.958 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 111.132 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -53.03 -49.29 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 72.439999999999998 110.859 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -52.07 -48.16 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.859 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.97 -45.0 95.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 110.921 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -27.17 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 65.040000000000006 110.865 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -71.78 -61.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 62.409999999999997 110.847 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.918 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.22 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.310000000000002 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 -32.14 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.25 -67.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -51.44 -49.76 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 65.129999999999995 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -103.59 43.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 71.120000000000005 110.858 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 51.219999999999999 111.092 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -75.57 -32.7 60.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 111.147 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.3 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 71.530000000000001 110.855 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.878 0.371 . . . . 64.549999999999997 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.17 147.83 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 72.230000000000004 111.101 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -121.76 -69.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.540000000000006 110.89 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 26.03 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.857 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.57 -25.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 64.420000000000002 111.173 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.54 -64.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 62.149999999999999 111.055 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.41 -24.9 61.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.450000000000003 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.62 161.96 29.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm 60.55 32.05 20.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 64.510000000000005 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.62 -171.66 4.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 74.510000000000005 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -82.1 -33.26 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.100000000000001 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.93 -30.04 22.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.150000000000006 110.955 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.8 -45.09 94.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 73.420000000000002 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -56.35 -26.99 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 72.129999999999995 110.851 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.43 60.21 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.951 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -69.94 -37.91 76.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 64.430000000000007 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -64.77 -48.05 75.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 71.239999999999995 110.883 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.45 -53.54 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -56.37 -25.79 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 63.340000000000003 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -87.14 -23.09 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -83.23 -48.4 10.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 61.210000000000001 110.947 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.687 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.17 -20.76 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 61.520000000000003 111.129 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.3 13.64 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 70.349999999999994 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.74 -52.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.519999999999996 110.881 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.62 -35.52 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.881 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -147.46 -43.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 60.130000000000003 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.19 17.17 9.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.299999999999997 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -78.64 -30.33 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 111.133 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.687 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.6 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.329999999999998 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.877 0.37 . . . . 74.340000000000003 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB3' HH21 ' A' ' 14' ' ' ARG . . . -76.52 103.28 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.030000000000001 111.093 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -106.13 -50.41 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.947 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -69.37 -43.42 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 73.129999999999995 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.47 -25.72 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.100000000000001 111.119 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.87 26.66 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 53.130000000000003 111.122 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -115.2 -26.88 7.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 41.240000000000002 110.94 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.43 -28.12 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -122.49 -73.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 63.329999999999998 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.31 -140.31 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 24.420000000000002 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -91.24 -49.34 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 75.409999999999997 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.61 -33.54 46.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.58 -44.23 76.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.456 HH21 ' HB3' ' A' ' 2' ' ' ALA . 54.6 mtp180 -56.1 -28.89 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.150000000000006 110.875 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.52 79.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.924 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -145.46 162.22 37.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 54.539999999999999 111.176 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -58.64 -51.67 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.540000000000006 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -52.18 -48.63 64.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.540000000000006 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.68 -37.15 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.349999999999994 110.95 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.44 -31.29 69.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -74.74 -24.0 58.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.319999999999993 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -83.27 -47.73 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 74.150000000000006 110.923 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.08 -20.33 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.549999999999997 111.097 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.48 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -140.95 -52.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.450000000000003 110.87 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -36.05 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 64.049999999999997 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -147.16 -44.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.420000000000002 110.837 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.45 17.02 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -78.06 -30.48 49.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 111.141 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.688 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.2 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.901 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 63.399999999999999 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.1 110.0 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.439999999999998 111.093 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.563 ' O ' HG13 ' A' ' 5' ' ' VAL . 10.6 tt0 -104.57 70.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 72.329999999999998 110.88 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mttp 54.44 29.34 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 55.420000000000002 110.863 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 3' ' ' GLU . 25.0 m -113.19 -28.46 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.088 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB1' ' CD ' ' A' ' 14' ' ' ARG . . . -72.09 -57.84 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.409999999999997 111.111 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.62 -27.06 57.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 73.099999999999994 110.935 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.46 159.49 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp 58.6 28.66 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.79 -154.07 37.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 54.409999999999997 112.506 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -104.89 -35.95 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.230000000000004 110.923 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -27.77 64.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 72.239999999999995 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.18 -44.01 71.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CD ' ' HB1' ' A' ' 6' ' ' ALA . 52.1 mtp180 -56.37 -27.87 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 70.140000000000001 110.825 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.75 76.62 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.010000000000005 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 p -139.58 179.94 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 111.158 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -74.86 -50.91 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 71.040000000000006 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.17 -49.24 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -54.01 -59.66 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -54.67 -32.76 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.24 -26.08 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.849 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -83.21 -46.4 12.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 71.519999999999996 110.93 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.04 -20.25 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 65.530000000000001 111.087 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.42 13.52 17.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.409999999999997 111.072 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -141.04 -52.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.861 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.66 -35.69 43.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 64.549999999999997 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -147.51 -44.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.44 16.94 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.139 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -77.98 -30.51 50.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 61.329999999999998 111.149 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.684 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 45.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.86 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.924 0.392 . . . . 61.32 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.57 132.65 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.24 26.46 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.855 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -100.77 -41.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 71.030000000000001 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 m -98.75 -28.26 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.209999999999994 111.126 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.3 133.66 42.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 52.439999999999998 111.075 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 63.7 15.91 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.340000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.71 -57.65 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 75.450000000000003 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -59.69 -26.53 65.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 50.039999999999999 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.86 172.54 18.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 61.119999999999997 112.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -86.03 -56.38 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 73.150000000000006 110.862 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.5 mt -58.27 -26.07 62.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 110.883 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 16' ' ' THR . 37.7 t80 -52.13 -59.15 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -58.61 -25.89 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 61.509999999999998 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 12' ' ' LEU . 44.1 mt -76.55 66.93 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' TYR . 12.2 p -126.25 160.83 29.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 73.150000000000006 111.14 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -32.97 74.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -71.17 -47.06 59.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.822 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -52.14 -52.38 52.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.938 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -57.07 -28.49 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -84.51 -23.42 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.409999999999997 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -83.16 -48.23 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -70.11 -19.87 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 111.096 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.13 13.11 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 70.109999999999999 111.078 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -141.08 -52.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.64 -32.85 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.887 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -150.71 -44.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.200000000000003 110.846 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.84 16.66 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 111.133 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -77.52 -30.58 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 50.310000000000002 111.179 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.683 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.1 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 71.010000000000005 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.94 108.25 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 61.229999999999997 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -122.61 -36.16 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 72.230000000000004 110.877 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -26.75 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.93 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.59 -25.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 64.530000000000001 111.124 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' ' 14' ' ' ARG . . . -116.68 27.8 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 111.117 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -116.48 -25.82 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 70.5 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -66.06 -26.3 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.57 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.43 -143.96 7.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 52.25 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -94.33 -50.5 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 73.450000000000003 110.828 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.75 -26.94 37.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 16' ' ' THR . 50.3 t80 -54.0 -37.28 63.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 55.340000000000003 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' HB1' ' A' ' 6' ' ' ALA . 25.8 mtt180 -69.47 -25.89 64.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.019999999999996 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.63 66.08 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.229999999999997 110.949 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 13' ' ' TYR . 80.7 p -130.83 -175.72 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -77.61 -50.99 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.55 -46.24 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -52.85 -42.21 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.924 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -51.94 -52.8 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 70.299999999999997 110.9 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.42 -26.22 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.08 -21.24 56.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.319999999999993 110.947 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.664 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -115.3 4.84 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 111.107 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.24 -5.89 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 111.111 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.31 -47.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.140000000000001 110.846 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.68 -39.18 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 75.200000000000003 110.84 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -145.35 -45.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.200000000000003 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.36 17.0 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.140000000000001 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -79.38 -30.17 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 45.8 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.049999999999997 110.835 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.1 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.914 0.387 . . . . 74.420000000000002 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.22 62.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 63.420000000000002 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -113.1 -26.32 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 75.109999999999999 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -83.04 -27.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.510000000000005 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.3 43.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 62.009999999999998 111.096 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.56 -42.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 61.43 111.093 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.31 -26.25 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.14 -30.01 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.420000000000002 110.908 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -128.21 -69.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.99 -142.63 6.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 53.229999999999997 112.464 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -94.22 -44.13 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 74.140000000000001 110.913 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.91 -31.42 69.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 44.509999999999998 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -55.6 -44.43 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -59.45 -28.34 66.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.61 74.24 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 p -138.42 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.200000000000003 111.117 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -55.75 -51.38 67.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 52.299999999999997 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.03 -42.47 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.73 -43.68 75.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.935 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.854 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -57.24 4.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 62.130000000000003 110.862 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -55.43 -42.36 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 65.400000000000006 110.918 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -69.4 -11.36 60.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 71.230000000000004 111.078 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.05 0.86 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 63.200000000000003 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -129.84 -49.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.857 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.4 -37.47 48.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 52.539999999999999 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -147.05 -45.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.86 15.91 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.074 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -76.71 -30.7 56.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 52.420000000000002 111.13 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.659 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.510000000000005 110.902 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.389 . . . . 73.530000000000001 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.823 ' HB1' ' HB2' ' A' ' 6' ' ' ALA . . . -128.67 118.04 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 62.399999999999999 111.1 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -121.64 -43.1 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -110.59 -35.29 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.867 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.18 43.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.823 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . . . -123.69 -47.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 54.409999999999997 111.099 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -28.85 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 110.934 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -52.55 150.01 5.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt 56.58 27.94 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.91 171.29 23.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 52.109999999999999 112.454 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -66.86 -31.7 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 74.010000000000005 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.21 -26.15 60.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 64.519999999999996 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' THR . 48.3 t80 -52.01 -46.51 64.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 110.889 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.678 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 22.2 mtt180 -56.87 -27.62 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 63.210000000000001 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.11 60.13 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.931 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' TYR . 1.8 p -114.8 176.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 70.299999999999997 111.142 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.43 -38.92 59.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 61.039999999999999 110.849 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -66.45 -46.63 75.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -53.16 -50.21 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.310000000000002 110.906 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -59.03 -26.21 64.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.549999999999997 110.917 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.22 -53.72 6.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.010000000000005 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -55.75 -41.09 73.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.938 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -69.81 -10.98 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 52.32 111.054 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.79 1.11 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 70.200000000000003 111.093 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -129.55 -49.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.329999999999998 110.953 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.45 -37.13 47.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -147.01 -45.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.93 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.85 15.87 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 70.109999999999999 111.095 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -76.65 -30.72 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.349999999999994 111.094 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 46.1 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 73.349999999999994 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.36 . . . . 73.409999999999997 110.933 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.62 37.2 19.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 111.086 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.21 45.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.91 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 52.28 41.12 30.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 71.109999999999999 110.878 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.94 -30.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.200000000000003 111.143 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.553 ' HB1' ' HE ' ' A' ' 14' ' ' ARG . . . -78.68 -35.82 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 31.109999999999999 111.081 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.38 -26.2 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.040000000000006 110.954 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -90.11 -176.73 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 55.67 29.22 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.19 -162.88 53.85 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 71.530000000000001 112.476 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -97.78 -38.45 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.944 0.402 . . . . 73.120000000000005 110.882 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.94 -27.01 40.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 63.130000000000003 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.01 -43.4 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.872 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HE ' ' HB1' ' A' ' 6' ' ' ALA . 43.6 mtp180 -57.66 -33.07 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.2 78.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 p -141.13 164.88 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 -50.23 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 110.848 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -52.25 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 73.109999999999999 110.83 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -57.91 -41.66 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 110.953 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -67.21 -26.43 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -81.41 -52.27 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -58.02 -27.69 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.914 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.07 -15.55 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 51.329999999999998 111.088 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 -27.91 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 72.120000000000005 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -102.97 -54.51 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.4 -42.08 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.908 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -106.61 34.6 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.549999999999997 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.53 -63.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -72.85 -33.02 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 111.078 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 63.420000000000002 110.896 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.872 0.368 . . . . 72.219999999999999 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.25 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 73.530000000000001 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -101.81 -63.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 74.109999999999999 110.919 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -30.69 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.120000000000005 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.6 -26.79 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.239999999999995 111.11 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -59.3 -68.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.04 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.37 -28.72 69.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.420000000000002 110.952 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -56.88 153.43 11.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 54.9 30.97 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.886 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 179.54 49.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 71.400000000000006 112.508 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -82.19 -34.61 28.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 72.25 110.879 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.05 -26.97 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.549999999999997 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' THR . 64.0 t80 -52.13 -45.13 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.310000000000002 110.97 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 82.1 mtp180 -60.49 -30.68 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 63.520000000000003 110.929 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.45 67.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 54.549999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 13' ' ' TYR . 21.7 p -128.41 -178.19 4.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 74.540000000000006 111.138 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -84.34 -27.98 27.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.219999999999999 110.818 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -76.37 -39.81 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.1 -42.89 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.953 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -68.32 -36.05 78.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 64.319999999999993 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -67.94 -27.79 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 63.439999999999998 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -83.2 -37.82 23.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.129999999999995 110.894 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 -24.83 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 33.009999999999998 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.17 -22.69 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 52.329999999999998 111.126 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.88 -53.44 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 65.219999999999999 110.888 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -41.4 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.53 28.55 7.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.877 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.350000000000001 111.084 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 t -64.21 -31.84 73.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 64.209999999999994 111.163 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.908 0.385 . . . . 54.130000000000003 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.3 -172.35 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 62.420000000000002 111.09 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -95.69 25.64 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.420000000000002 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -45.76 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.209999999999994 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.94 -22.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 111.099 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.45 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 70.420000000000002 111.056 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -92.55 -25.79 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 62.229999999999997 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.61 141.45 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 110.912 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt 58.53 24.54 12.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.8 -168.99 52.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 74.329999999999998 112.471 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -78.81 -28.91 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 73.409999999999997 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 15' ' ' LEU . 4.9 mt -51.63 -40.53 60.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 16' ' ' THR . 30.9 t80 -52.06 -49.31 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -52.22 -29.91 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 75.010000000000005 110.831 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 12' ' ' LEU . 27.1 mt -77.52 61.45 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.945 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 13' ' ' TYR . 7.8 p -122.85 155.79 35.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 111.12 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -52.37 -47.99 65.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 72.219999999999999 110.836 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -54.03 -52.44 60.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.869 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -52.26 -44.72 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.91 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -52.2 -33.4 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 110.809 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -86.8 -44.28 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.61 -33.4 69.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 71.329999999999998 110.931 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.56 2.27 53.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 62.200000000000003 111.12 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -91.03 -9.63 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 111.121 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -136.17 -41.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -82.08 -20.79 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -145.88 24.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . -53.7 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.409999999999997 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -99.44 -29.37 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 64.409999999999997 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 70.109999999999999 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.891 0.377 . . . . 70.430000000000007 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.03 29.85 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 111.073 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -108.11 -26.27 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.91 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -115.93 -26.36 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.72 -50.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.099999999999994 111.132 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.24 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.25 111.116 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -52.77 -29.38 26.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.921 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.67 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.86 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -52.17 -71.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.29 -161.52 34.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 74.400000000000006 112.473 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -81.31 -53.22 6.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 15' ' ' LEU . 20.6 mt -52.48 -41.1 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 74.219999999999999 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' THR . 60.0 t80 -52.18 -54.3 32.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -52.12 -31.35 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 12' ' ' LEU . 26.7 mt -73.35 77.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.219999999999999 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.5 p -141.84 171.44 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 70.099999999999994 111.159 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -69.83 -47.66 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 44.009999999999998 110.859 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.43 -51.76 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.15 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 70.150000000000006 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 43.7 mtt180 -51.94 -30.11 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 62.25 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -57.19 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.450000000000003 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -60.88 -27.23 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.92 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.89 5.79 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 72.310000000000002 111.107 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -93.79 -14.75 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 70.340000000000003 111.102 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -131.15 -39.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.889 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.49 -25.84 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 74.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -134.43 20.83 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 24' ' ' ALA . . . -51.58 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.409999999999997 111.073 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -103.43 -28.72 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 111.117 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 70.439999999999998 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.865 0.364 . . . . 71.219999999999999 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.03 159.36 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 111.091 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -125.47 29.19 6.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.854 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -112.99 -31.46 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.86 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.71 26.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 75.5 111.093 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -102.93 -50.1 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -65.86 -26.69 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 62.049999999999997 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.59 149.9 47.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.902 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 58.98 27.42 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 63.219999999999999 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.84 -172.35 46.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 73.140000000000001 112.463 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.299999999999997 110.894 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -55.94 -26.34 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.030000000000001 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.01 -47.18 68.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.864 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.596 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 39.4 mtp180 -59.1 -26.24 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 61.450000000000003 110.856 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.36 64.42 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 74.439999999999998 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -125.46 161.17 27.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 71.030000000000001 111.139 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -55.0 -49.01 72.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -52.29 -55.19 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 64.409999999999997 110.838 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -55.37 -43.02 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.932 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -64.79 -33.02 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 65.019999999999996 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -68.92 -61.22 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -57.22 -27.36 61.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.94 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.68 -19.21 49.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 33.119999999999997 111.092 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.48 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 111.112 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.76 -58.35 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 51.25 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.907 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -106.65 27.77 8.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.119999999999997 110.864 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.02 -72.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 111.113 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 t -60.39 -31.86 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 60.329999999999998 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 64.140000000000001 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.5 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.913 0.387 . . . . 75.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.37 135.04 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 73.109999999999999 111.064 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -132.77 -60.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -109.39 -26.1 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 52.119999999999997 110.887 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 m -51.75 -32.82 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 52.130000000000003 111.139 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -25.53 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 111.137 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -75.2 -26.25 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.519999999999996 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.02 -27.32 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -126.55 -74.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.887 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.66 -148.71 13.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 72.150000000000006 112.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -79.47 -43.17 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 75.340000000000003 110.92 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 12' ' ' LEU . 5.5 mp -53.88 -39.19 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 71.310000000000002 110.904 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 16' ' ' THR . 39.3 t80 -52.06 -50.25 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 63.009999999999998 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -55.78 -26.36 45.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.120000000000005 110.903 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.9 70.3 2.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 63.140000000000001 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.9 p -126.93 160.61 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 64.109999999999999 111.155 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -63.14 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.69 -52.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 75.5 110.878 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -52.3 -54.17 34.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.310000000000002 110.913 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -56.39 -26.42 53.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.239999999999995 110.893 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.02 -25.85 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 54.219999999999999 110.872 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.61 -54.08 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 71.409999999999997 110.948 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 27' ' ' ARG . . . -60.43 -30.03 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 71.400000000000006 111.132 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.72 -5.44 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 111.093 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -128.39 -0.28 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.420000000000002 110.923 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -123.98 -36.17 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.109999999999999 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.4 ptt85 -137.58 33.76 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.350000000000001 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . -73.87 -72.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.039999999999999 111.089 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -103.9 -27.73 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 74.129999999999995 111.17 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.909 0.385 . . . . 71.209999999999994 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.14 109.61 13.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 71.200000000000003 111.114 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -60.59 -31.76 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 52.43 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -52.37 -30.72 30.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.510000000000005 110.862 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.67 76.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 44.350000000000001 111.125 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.93 -75.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.109 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -107.77 -15.86 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.81 -29.99 21.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.239999999999995 110.851 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -100.83 -30.71 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 75.329999999999998 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.09 171.74 17.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 72.409999999999997 112.476 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -74.62 -58.16 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 52.509999999999998 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.92 -35.07 44.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.91 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' THR . 73.0 t80 -52.6 -55.09 24.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.906 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -52.16 -30.36 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 73.310000000000002 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.75 68.55 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.530000000000001 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 13' ' ' TYR . 9.1 p -128.69 158.31 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -55.96 -43.45 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.19 -59.21 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 64.150000000000006 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.15 -53.33 59.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 74.519999999999996 110.874 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -55.75 -25.9 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 53.109999999999999 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.09 -25.9 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 70.510000000000005 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -75.16 -55.51 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.899 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.811 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -60.21 -29.79 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.319999999999993 111.095 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.571 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.76 -2.96 38.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 45.149999999999999 111.091 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.54 2.64 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -125.28 -36.5 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.906 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.811 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -133.52 20.16 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.519999999999996 110.893 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . -60.61 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 111.086 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -102.15 -27.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 54.240000000000002 111.134 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.879 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.915 0.388 . . . . 75.409999999999997 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.71 22.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 72.5 111.07 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -116.89 65.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.877 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.86 36.35 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 71.409999999999997 110.864 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 p -114.56 -30.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.146 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.05 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 111.066 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.43 -31.48 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 61.200000000000003 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -72.71 -53.67 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 64.319999999999993 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -55.87 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.25 -147.14 11.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 71.230000000000004 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -96.76 -58.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 74.540000000000006 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 mt -52.41 -33.39 43.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -52.4 -50.94 61.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -56.13 -26.32 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.409999999999997 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.52 58.79 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 52.109999999999999 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -122.71 156.17 34.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 111.174 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -52.22 -47.47 65.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.209999999999994 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -52.56 -50.8 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.420000000000002 110.869 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.36 -47.18 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 71.209999999999994 110.91 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -52.73 -49.96 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.319999999999993 110.823 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -49.31 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 63.43 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -51.79 -52.3 50.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.67 69.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.100000000000001 111.093 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -79.27 -5.43 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 111.122 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -125.94 -4.91 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 72.319999999999993 110.827 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.03 -28.36 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -144.71 43.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.519999999999996 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -88.27 -75.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 61.109999999999999 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -95.28 -24.61 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.140000000000001 111.158 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 72.019999999999996 110.895 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 73.319999999999993 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.18 91.43 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -164.22 -40.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 65.519999999999996 110.928 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -152.15 25.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 73.040000000000006 110.924 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 p -170.15 151.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 63.049999999999997 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 93.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.131 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 63.77 15.85 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.882 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -128.14 21.99 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -140.41 -42.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 53.509999999999998 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.73 153.94 9.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.319999999999993 112.525 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.28 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 74.430000000000007 110.891 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.86 -39.05 73.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.450000000000003 110.934 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' THR . 36.6 t80 -51.94 -50.6 60.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.520000000000003 110.958 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -52.01 -33.59 39.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 65.109999999999999 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.8 75.6 2.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 31.4 p -142.58 -177.92 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 50.43 111.16 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -81.44 -34.96 31.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 73.450000000000003 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.12 -43.34 87.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -52.03 -46.26 64.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.89 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -62.43 -26.6 68.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 42.43 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -81.29 -55.14 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 70.010000000000005 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -52.11 -54.86 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.93 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' A' ' 27' ' ' ARG . . . -58.51 -29.64 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 62.009999999999998 111.08 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' C ' ' HB2' ' A' ' 28' ' ' ALA . . . -77.89 -2.81 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 64.219999999999999 111.038 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -131.65 2.69 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.864 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -125.25 -36.47 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.806 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -133.64 20.02 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.87 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB2' ' C ' ' A' ' 24' ' ' ALA . . . -60.35 -76.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 111.127 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -102.26 -27.84 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 54.329999999999998 111.173 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 71.329999999999998 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.923 0.392 . . . . 63.210000000000001 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.51 97.42 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 54.409999999999997 111.078 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -123.07 -62.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 110.855 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.93 33.51 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.530000000000001 110.882 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.95 -29.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 111.12 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 14' ' ' ARG . . . -90.9 -34.3 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 111.079 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.32 -26.41 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.884 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.03 -30.31 24.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.919 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -125.51 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 70.329999999999998 110.855 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -132.64 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 55.43 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -100.56 -53.17 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 55.340000000000003 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.03 -37.76 54.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 71.109999999999999 110.909 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -55.77 -50.19 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.929 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 48.2 mtp180 -53.19 -30.04 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 73.099999999999994 110.858 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -70.01 84.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.119999999999997 110.959 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.1 p -148.5 160.31 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.146 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -58.66 -51.24 70.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 51.009999999999998 110.847 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -54.87 -53.62 53.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.5 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -53.47 -52.4 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.922 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -58.15 -36.52 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 63.149999999999999 110.88 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -71.6 -26.7 62.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -83.24 -44.63 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.41 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 70.019999999999996 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.09 16.93 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 61.32 111.129 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -139.92 -54.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 74.239999999999995 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.44 -49.32 61.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.91 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.63 -38.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.13 18.2 8.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 111.118 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' THR . 3.8 m -89.87 12.02 18.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.519999999999996 111.138 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.921 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 75.540000000000006 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB1' HG22 ' A' ' 5' ' ' VAL . . . -55.5 101.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 62.420000000000002 111.097 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -91.21 -26.41 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.885 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -62.71 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 72.319999999999993 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.408 HG22 ' HB1' ' A' ' 2' ' ' ALA . 31.2 m -121.14 45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 75.219999999999999 111.137 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' HB1' ' NH1' ' A' ' 14' ' ' ARG . . . -132.83 -60.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 111.072 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -116.28 -26.06 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.32 110.916 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -52.1 -30.1 24.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.420000000000002 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -93.25 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 52.119999999999997 110.882 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.87 -157.2 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 41.520000000000003 112.458 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -93.97 -62.99 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 53.439999999999998 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 15' ' ' LEU . 22.3 mt -52.01 -34.28 42.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' THR . 76.3 t80 -52.09 -52.31 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' HB1' ' A' ' 6' ' ' ALA . 1.1 ttt180 -55.27 -26.48 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.049999999999997 110.871 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 12' ' ' LEU . 21.2 mt -83.13 56.05 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 70.530000000000001 110.894 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' TYR . 6.6 p -114.3 178.45 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 111.158 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -76.85 -31.86 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.439999999999998 110.875 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -70.05 -42.67 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.219999999999999 110.88 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.29 -27.95 50.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.948 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -73.76 -28.94 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -87.35 -26.35 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.040000000000006 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.24 -44.32 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.62 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 72.400000000000006 111.126 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.98 16.99 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 64.430000000000007 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -139.92 -55.05 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.150000000000006 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.39 -50.04 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 71.450000000000003 110.899 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.85 -37.98 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.855 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.9 18.26 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' THR . 3.8 m -89.75 11.81 18.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.138 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.349999999999994 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.894 0.378 . . . . 71.530000000000001 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 62.140000000000001 111.101 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -108.41 -31.35 7.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.874 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -53.38 -28.61 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.549999999999997 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.95 -23.87 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 52.140000000000001 111.138 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB2' ' NE ' ' A' ' 14' ' ' ARG . . . -95.07 24.62 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 111.073 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -111.74 -23.77 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 51.109999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -62.88 -25.89 68.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.239999999999995 110.856 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -141.01 -42.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 60.409999999999997 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.96 -166.53 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.504 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -68.51 -42.92 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 75.430000000000007 110.882 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.43 -30.46 19.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 16' ' ' THR . 8.3 t80 -68.73 -41.57 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 72.299999999999997 110.881 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.723 ' NE ' ' HB2' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -57.67 -26.07 61.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.040000000000006 110.891 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.91 72.75 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.299999999999997 110.963 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 13' ' ' TYR . 65.2 p -138.31 179.14 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 111.136 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 t -74.83 -45.9 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.340000000000003 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -56.97 -47.3 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.1 -31.89 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 110.914 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -48.1 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.299999999999997 110.858 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -61.18 -29.4 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.120000000000005 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -69.21 -55.84 9.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.209999999999994 110.912 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HE ' ' A' ' 27' ' ' ARG . . . -60.54 -30.01 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 62.310000000000002 111.09 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -75.51 -5.61 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 52.420000000000002 111.09 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.58 -0.14 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.833 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.92 -36.36 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HE ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -137.18 33.66 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.310000000000002 110.918 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -74.55 -72.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.030000000000001 111.077 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -104.3 -27.84 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 53.149999999999999 111.121 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.894 -179.966 . . . . . . . . 1 1 . 1 stop_ save_