data_2mpk_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 2mpk _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.309 . . . . 75.22 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.9 mm -51.51 -41.52 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 73.4 111.138 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.01 -30.08 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.864 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.86 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.26 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 64.05 111.09 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.56 -32.11 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -76.92 -31.59 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 75.31 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.5 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 tp -50.95 -28.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.41 111.112 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -62.27 -39.73 93.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -28.76 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.868 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.34 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 72.2 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -36.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 73.02 111.133 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -63.33 -23.41 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -55.72 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.104 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.16 55.06 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.879 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -161.08 175.83 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -114.56 106.78 14.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.83 -139.69 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.502 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -58.55 -19.86 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.31 110.835 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -48.58 -28.64 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.907 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -66.78 -45.25 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.82 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.71 -22.4 53.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.43 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.97 82.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 62.25 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.29 -36.66 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -36.15 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.939 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.48 -38.96 91.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 73.21 110.902 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -68.06 -42.66 80.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.58 -30.18 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.93 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.835 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.52 72.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 75.23 112.458 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.95 -29.5 55.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 52.33 112.502 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.47 -17.7 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 70.05 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 mmt -70.57 -35.81 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.842 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tt -80.0 -25.75 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.25 111.129 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.01 -50.33 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.04 111.159 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -49.95 -37.04 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.43 111.167 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.78 87.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.066 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -41.69 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 72.15 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.27 -51.14 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -23.72 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.891 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -105.11 -169.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.06 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.101 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.94 57.01 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.846 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.89 129.77 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.14 -35.28 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 62.33 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 m -72.87 -31.07 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.04 111.079 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -34.28 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.869 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -71.61 -35.45 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.932 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.9 -34.12 51.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.908 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -40.6 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.876 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.33 -51.26 12.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 74.35 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -56.17 -46.45 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -70.71 -29.84 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.87 -51.02 26.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 64.02 112.477 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.76 67.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 74.42 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.24 -61.0 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.838 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.16 -30.98 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.137 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.94 -41.17 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.55 -27.54 34.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 63.53 110.91 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -47.89 22.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.23 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.106 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.71 -28.35 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -53.74 41.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.22 -35.23 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.58 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 45.25 111.089 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.11 -21.99 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -44.97 -36.84 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.4 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.8 pt -50.41 -44.2 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.138 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -41.0 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -30.44 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 53.44 110.895 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.9 t60 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.879 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 72.41 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.94 -36.02 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.1 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.0 -30.03 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.89 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.85 -23.64 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.866 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.39 -56.06 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.04 111.087 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.08 -47.43 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.43 -35.49 75.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.88 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.37 -29.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.124 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -60.5 -37.86 82.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.893 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -29.04 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.16 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.34 111.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -37.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.53 111.123 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -23.39 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.923 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -55.59 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 62.12 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.4 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.35 -169.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 75.05 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.32 45.68 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.9 -30.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 71.52 112.518 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.54 -30.3 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 75.21 110.868 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.75 -31.69 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 62.31 110.93 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.38 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 75.42 110.846 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.53 -27.15 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.945 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.34 -35.84 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 74.53 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.3 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -42.73 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.887 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.56 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.891 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -78.53 -40.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.912 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.5 -30.23 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.48 -29.47 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.817 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.95 23.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 72.04 112.472 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.22 -29.32 56.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 63.04 112.49 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.1 -17.22 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 74.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.5 mmt -70.59 -28.79 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.8 tt -79.85 -24.91 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.146 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.29 -40.59 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.25 111.162 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -50.89 -29.67 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.53 111.122 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.32 -37.69 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.148 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -46.99 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.117 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.83 -54.99 35.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -25.74 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 72.4 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -100.64 -176.49 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.843 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.84 -61.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 71.32 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -92.12 55.63 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.851 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.42 146.76 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -75.3 -35.44 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.15 -31.98 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.142 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -35.78 47.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.906 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.23 -30.35 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 53.33 110.866 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.73 -36.36 50.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.3 110.905 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.92 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.85 -45.86 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.21 -50.2 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.878 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -75.24 -21.14 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.34 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.1 -53.24 10.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 72.44 112.497 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -18.4 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 74.14 110.882 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.35 -60.73 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -52.77 -30.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -71.03 -46.63 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.24 -32.37 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.896 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.7 -36.33 60.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.937 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.18 -33.24 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.45 111.098 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.872 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -52.67 59.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.32 -36.72 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.933 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.9 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 70.35 111.09 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.92 -22.84 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.845 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -47.79 -51.3 23.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.37 -34.39 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 75.24 111.159 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.22 -50.31 34.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.899 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -56.66 -30.59 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.825 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.778 0.323 . . . . 72.51 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.57 -42.31 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.15 111.149 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.0 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.902 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.853 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.3 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.21 111.124 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -66.9 -32.12 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.922 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -78.29 -33.72 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.22 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 55.15 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tt -50.53 -28.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.163 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.62 -30.77 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.15 110.879 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -36.88 61.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.899 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 64.52 111.107 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.57 -34.33 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.147 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -25.1 63.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.887 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.112 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 61.4 61.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 75.15 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.23 100.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -143.31 -64.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.875 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.24 -32.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 74.42 112.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -19.96 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 64.12 110.872 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -48.39 -30.56 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.938 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -70.28 -45.02 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 75.41 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.35 -21.62 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 64.3 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.22 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 55.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.85 -28.91 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -31.82 28.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.908 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.13 -37.28 75.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.913 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -79.01 -33.66 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.48 -33.81 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.932 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.33 -18.73 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.898 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.01 93.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 72.02 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 -31.1 34.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 64.52 112.52 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.53 -17.52 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.343 . . . . 74.1 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -35.53 57.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.865 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 tp -79.68 -26.33 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.137 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.61 -45.92 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.108 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -51.04 -31.03 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.173 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -38.2 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.098 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -55.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.93 -45.91 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 63.52 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -68.79 -23.86 64.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -94.89 -178.35 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.915 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.75 -53.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.075 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -84.49 54.91 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.826 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -132.85 131.96 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.11 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.937 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.34 -31.97 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.34 111.124 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -46.04 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.41 -48.73 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 tp -73.83 -29.67 62.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.84 -42.7 89.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.935 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.34 -51.39 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.927 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -55.67 -35.14 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.86 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -71.44 -31.12 66.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 75.53 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.25 -44.74 58.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 61.5 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -20.88 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 75.44 110.929 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.21 -60.57 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 60.32 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -50.38 -30.97 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.113 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.92 -46.6 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.941 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.0 -32.77 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.849 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -75.76 -48.6 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.91 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.3 -31.02 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 74.3 111.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.13 -22.74 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.4 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -52.25 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.871 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.25 -32.48 70.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.942 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.23 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.15 111.124 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.06 -21.77 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 64.32 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -44.82 -36.65 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.44 -44.36 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.02 111.119 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.22 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 75.2 110.929 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -32.36 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.842 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 64.41 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -51.68 -37.34 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.22 111.08 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -29.99 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.894 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.53 -38.12 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 71.31 110.832 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.31 90.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.33 -31.99 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -76.93 -31.69 56.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 74.54 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.34 57.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.092 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -28.61 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.169 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.04 -37.57 54.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 72.32 110.911 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -36.85 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -50.69 68.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.108 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tt -67.51 -35.05 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.121 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -23.45 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 65.5 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.19 -56.91 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 64.44 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 48.27 37.67 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.866 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.21 -74.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.846 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 179.55 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.87 5.19 4.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 75.34 112.5 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.89 -44.32 91.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 74.04 110.865 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -50.91 -30.24 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 73.11 110.966 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -49.86 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.23 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.37 -23.05 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.66 52.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 63.14 111.122 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.35 -28.69 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -31.03 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.925 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -71.89 -37.47 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 75.05 110.834 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -79.28 -32.77 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -34.91 66.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 63.13 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.52 -18.99 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.869 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.66 -42.58 87.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 74.21 112.539 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.7 91.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.22 112.445 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -17.7 56.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 73.21 110.915 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -48.95 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 75.01 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.9 tp -80.1 -26.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.52 111.137 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.73 -45.72 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.128 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 t -51.45 -30.0 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 71.25 111.147 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.68 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.18 64.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.51 111.08 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.24 -52.84 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 70.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.75 66.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -86.48 -179.53 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -164.96 -54.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.11 111.119 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -90.58 47.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.01 110.898 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.02 130.01 52.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -28.96 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.91 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 m -77.55 -31.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.12 111.124 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.15 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -54.23 -48.92 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tt -72.3 -30.19 64.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.13 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -46.23 88.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.902 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.58 -43.03 40.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.877 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -55.12 -44.37 74.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 73.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.14 -31.38 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 75.44 110.893 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.54 -52.53 15.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.799 -0.715 . . . . 74.42 112.491 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -21.12 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 73.15 110.88 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.63 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.6 m -50.72 -30.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.122 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.96 -44.02 56.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.918 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.9 -27.43 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 71.02 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.68 -47.87 24.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.38 -31.22 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.088 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.36 -22.58 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.886 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.95 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.13 -33.71 72.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.908 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 72.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.19 -22.0 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -45.06 -37.26 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.56 -44.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -39.56 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.31 -29.01 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.852 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.724 0.297 . . . . 74.43 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -51.54 -41.41 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.132 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -30.0 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.889 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -33.26 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.896 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.07 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -66.48 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -78.07 -33.09 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.815 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.33 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.04 111.107 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 tp -50.55 -28.55 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.31 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.53 -45.34 73.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.88 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -29.24 70.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.879 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.83 60.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 64.5 111.061 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -34.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 74.34 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.95 -25.53 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 75.1 110.94 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.11 -30.01 24.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.41 111.059 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 52.41 48.31 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 t30 63.21 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.43 110.891 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.99 -41.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.17 -19.6 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 62.34 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.96 -25.84 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.34 110.903 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -53.28 -29.0 30.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.91 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -46.51 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.15 110.898 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.2 -26.05 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.55 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 54.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.22 -28.76 63.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -52.5 -40.64 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.878 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -27.5 65.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.862 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.72 -46.5 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.884 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.46 -38.37 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -31.2 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.83 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.49 -27.0 55.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 73.44 112.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.23 -46.84 14.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 74.14 112.468 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.42 -17.86 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 73.32 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tt -79.31 -24.88 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.51 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.97 -43.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.142 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -51.32 -29.84 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 74.12 111.154 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.58 61.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.09 45.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.21 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.22 -55.63 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.898 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -23.52 65.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -91.24 -178.64 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.87 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.57 -45.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.126 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -91.6 45.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.5 110.864 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -124.75 133.04 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -78.03 -29.8 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.51 -32.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.129 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -45.79 6.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.897 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -52.75 -48.63 66.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.95 -29.52 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.34 -41.85 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.936 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -76.06 -47.09 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 64.33 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -57.26 -50.05 74.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 62.22 110.87 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -66.73 -21.54 66.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.862 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.13 -52.62 35.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 55.13 112.488 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -19.34 58.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.292 . . . . 75.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.06 -60.5 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.876 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -50.86 -31.08 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.42 111.14 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.07 -53.9 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.96 -32.39 72.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -45.96 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 74.02 110.932 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.62 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.1 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -75.56 -22.49 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -53.4 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.831 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.37 -36.45 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.92 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.69 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.105 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -80.47 -23.29 40.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -47.77 -51.73 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -35.27 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -49.45 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.915 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.86 -30.82 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.922 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.855 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.759 0.314 . . . . 73.41 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.41 -39.9 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.125 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.81 -30.08 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.866 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -64.11 -33.65 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.807 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.18 79.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 70.54 111.121 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -62.53 -32.25 73.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -78.14 -33.48 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 71.53 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.86 -26.14 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.06 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 tp -50.73 -28.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.71 -30.68 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.915 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -34.9 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.891 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.62 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -33.25 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.51 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -63.79 -22.24 66.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 74.52 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.68 -55.84 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.98 71.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.85 -168.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -131.67 67.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.872 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.53 -31.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 60.35 112.467 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -80.83 -25.07 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 74.35 110.85 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.74 -29.23 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.927 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -36.88 64.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.883 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.52 -25.5 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.14 -49.79 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.149 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.33 -28.59 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -30.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.903 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -42.07 89.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.826 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.81 -41.63 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.891 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.55 -30.08 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -31.46 67.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.15 110.842 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.16 -40.84 33.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.524 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.16 -29.35 55.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.21 112.477 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.07 -17.4 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 72.41 110.847 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 mmt -68.7 -42.08 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 tt -79.83 -25.9 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.147 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -73.99 -53.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.149 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -51.48 -30.01 18.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.119 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.12 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.51 111.073 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.74 -44.78 48.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 52.23 111.073 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.94 -55.81 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.897 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -25.34 64.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.5 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.79 -177.64 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.876 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.64 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.077 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.0 m -93.06 54.48 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 65.23 110.85 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -134.41 135.8 42.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.15 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.09 -30.81 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.0 m -77.72 -32.3 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.088 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -43.65 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.885 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.16 -49.2 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 55.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.8 -40.97 81.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.922 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.62 -51.29 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.98 -38.83 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.55 110.833 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -73.36 -33.05 64.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.41 -48.88 34.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 72.31 112.478 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.06 66.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.733 0.301 . . . . 74.14 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.02 -60.72 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.09 -30.61 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.43 111.16 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.46 -52.82 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.896 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.4 -30.87 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 73.23 110.916 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -72.32 -51.01 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.86 61.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.34 111.09 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.6 -21.78 55.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 74.15 110.838 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -58.6 -55.35 36.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.875 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.15 -41.3 74.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.54 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.62 -26.75 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 61.14 111.109 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.75 -22.97 42.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 62.34 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -46.19 -51.94 13.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.897 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.2 pp -50.96 -38.67 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.113 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.96 -49.96 46.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.9 -29.49 65.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.55 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.86 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 72.34 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.55 -38.61 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 71.42 111.155 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.14 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 62.25 110.881 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.39 -32.67 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.849 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -53.6 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.13 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -51.91 -32.48 32.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -64.69 -47.21 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.868 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.19 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.132 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.61 -43.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.158 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.75 -40.04 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.07 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.84 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.89 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -36.68 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -63.27 -23.41 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -51.96 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 56.44 57.11 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -136.88 177.22 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -129.15 52.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.44 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.65 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.753 . . . . 65.52 112.469 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.27 -21.38 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 75.5 110.899 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -53.38 -31.45 44.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.936 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.9 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.44 110.858 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -35.2 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.32 110.883 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.069 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.39 -29.38 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -36.96 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.902 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -62.87 -34.03 76.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.877 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -76.64 -39.23 52.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.47 -30.24 64.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.944 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -26.85 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.11 -33.66 35.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.478 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.1 -29.38 55.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.53 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.56 -17.25 54.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.25 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 mtt -73.6 -29.03 62.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.859 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.6 tt -80.04 -25.07 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -68.29 -41.74 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.1 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 t -50.85 -29.51 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.108 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.12 -38.0 61.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 73.23 111.125 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.63 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.156 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.54 -54.71 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -25.23 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 72.2 110.895 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -100.88 -175.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.48 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 63.13 111.094 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.35 54.01 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.889 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -122.43 140.48 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 75.34 110.932 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -70.35 -35.78 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.33 -32.14 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.121 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -34.92 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.13 -31.73 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.69 -34.1 52.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -45.57 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.9 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -50.44 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -53.54 -50.38 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.24 -20.96 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.897 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.01 -53.59 9.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 73.43 112.468 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -18.57 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 74.12 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -76.71 -60.41 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 64.31 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -50.92 -30.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.35 111.124 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.43 -53.94 24.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.4 110.875 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.64 -32.2 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 71.25 110.933 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -32.65 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.97 -29.23 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 62.35 111.113 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.63 -22.39 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 61.14 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -50.55 61.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.28 -31.99 69.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.47 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.22 111.071 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.97 -21.74 40.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 65.31 110.862 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -44.9 -36.37 3.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.6 -44.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.117 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.18 -41.31 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.87 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -30.62 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.893 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.885 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.752 0.31 . . . . 71.0 111.166 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.67 -43.6 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.34 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -52.08 -30.02 24.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 74.1 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.52 -37.34 85.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.864 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.34 89.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 73.33 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.77 -32.11 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.09 -33.46 50.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.33 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 52.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 tt -50.59 -28.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.5 -33.93 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -34.04 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.885 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.82 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.083 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 tt -66.14 -33.7 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.52 111.17 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.97 -23.8 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.898 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.58 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.34 111.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 63.25 62.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.882 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.42 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.99 -46.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 62.45 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.63 -28.79 4.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 50.31 112.499 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -21.88 41.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 71.34 110.879 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -51.64 -28.69 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.908 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -37.38 65.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.24 110.921 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -23.32 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.39 46.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.42 111.104 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.71 -29.14 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -31.09 64.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.9 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -34.04 61.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.15 110.827 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -79.13 -36.32 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.24 110.869 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.95 -35.76 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.909 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.47 -18.9 62.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 61.54 110.87 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -38.61 93.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.754 . . . . 64.14 112.45 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.24 47.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 70.23 112.526 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.35 -17.42 64.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 71.24 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 mmt -67.0 -45.37 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 62.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.7 tt -79.27 -25.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.2 111.151 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.65 -52.99 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.136 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -53.14 -30.07 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.6 75.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 54.01 111.123 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.71 -38.06 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.3 111.092 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.17 -47.77 72.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -67.78 -25.43 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.915 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.72 -176.45 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.907 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.73 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -91.13 59.86 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -145.06 137.1 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.21 110.921 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -77.72 -31.85 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -77.3 -32.37 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 63.34 111.099 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -38.18 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.891 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.47 -48.14 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.1 -31.47 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.93 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -40.26 74.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.03 110.919 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.28 -50.48 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 63.34 110.899 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -51.52 -44.02 62.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.883 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.19 -28.84 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.935 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.28 14.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.47 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -22.52 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 74.5 110.922 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.57 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.06 -30.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.31 -42.24 88.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.6 -27.22 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -71.75 -51.04 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.924 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -30.68 60.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.12 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.31 -23.6 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.03 110.902 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -50.76 61.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 61.32 110.886 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.23 -32.89 70.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.8 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 73.03 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.09 -21.58 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 73.34 110.917 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -44.89 -36.59 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 pt -50.36 -44.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 72.23 111.09 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -41.82 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.939 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -30.2 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 63.51 110.845 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.833 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 64.2 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.71 -32.14 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.105 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.33 -29.88 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.876 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.08 -23.46 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 64.35 110.925 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.28 -54.15 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -51.64 -47.85 63.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.88 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.12 -35.74 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.22 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.4 mm -66.96 -32.98 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.42 111.142 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -58.44 -35.28 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.857 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -40.84 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.82 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.058 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -35.75 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.12 111.175 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -25.39 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 55.42 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.7 -46.57 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 44.11 111.083 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.07 61.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 62.23 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 63.23 105.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.45 110.887 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -156.19 -44.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.89 -17.89 4.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.12 112.51 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.03 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 73.34 110.916 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -51.83 -39.62 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 70.34 110.931 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -54.25 32.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 74.15 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.3 -26.24 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.53 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.086 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.65 -38.43 87.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -51.74 -48.57 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.933 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -58.21 -29.36 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.866 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.72 -29.89 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.51 -20.51 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.42 -49.13 33.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 52.12 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.01 -34.15 61.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 72.22 112.461 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.97 -17.55 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 71.45 110.841 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.4 -50.44 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -80.35 -26.14 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.137 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.04 -42.51 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.35 111.176 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 t -51.27 -29.71 15.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.179 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.09 -51.01 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.131 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.91 -32.57 72.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.21 -35.27 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.917 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.16 12.81 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.96 -179.62 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 73.4 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.08 142.46 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.12 111.068 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t 52.04 36.27 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.908 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -84.0 -29.62 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 m -78.92 -32.19 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -37.54 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.875 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.75 -48.24 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.886 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 tt -73.01 -30.36 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.93 88.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.21 110.879 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -76.69 -31.63 57.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.933 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -67.2 -50.22 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 71.13 110.817 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -68.5 -37.99 80.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.956 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.95 93.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 71.34 112.462 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -31.59 58.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 75.33 110.889 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -70.82 -59.01 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 m -50.25 -31.54 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.32 111.144 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -74.74 -38.31 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.946 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.33 -27.33 56.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 62.02 110.859 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -75.66 -45.86 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.56 59.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.53 111.08 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.72 -24.72 56.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.01 110.857 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -53.36 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.827 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.38 -37.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 71.21 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.83 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.102 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.57 -23.3 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.91 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -47.69 -51.85 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -35.23 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -50.83 47.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.916 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.53 -27.38 67.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.935 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 71.34 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.66 -40.35 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.115 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.71 -30.02 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.899 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -32.81 74.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.865 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.29 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.123 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.94 -32.1 68.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.867 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -78.12 -33.3 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.887 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.29 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -28.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.113 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.3 -33.69 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -28.93 59.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.893 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.87 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -37.08 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.14 111.115 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -63.16 -23.53 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.32 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.22 111.121 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 52.55 47.75 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -130.61 169.64 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.853 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.6 56.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.22 -61.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 55.21 112.473 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -21.8 40.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 73.23 110.87 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.53 -28.39 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -73.55 -37.96 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.69 -22.67 56.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.69 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.44 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.7 -28.68 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.4 110.902 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -51.57 -30.24 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -52.09 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.914 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.98 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.903 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.14 -33.96 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 74.03 110.962 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.21 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.54 110.858 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.57 90.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.8 -54.12 6.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 73.11 112.498 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -57.77 -23.04 50.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 74.23 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -34.48 64.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.857 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 73.21 111.123 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.88 -31.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.124 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.4 t -60.7 -31.43 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 64.11 111.156 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -49.27 77.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.78 -29.07 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.1 111.086 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.72 -18.34 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.855 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -99.74 -18.71 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.42 -176.6 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.75 155.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 60.54 111.065 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.1 26.46 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.43 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.79 136.03 49.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 70.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -71.38 -32.66 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.53 -30.82 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -52.29 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.92 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -57.82 -27.44 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.7 tp -78.28 -35.47 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.28 -48.55 73.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.34 -51.36 20.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.92 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -51.62 -43.69 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.858 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -74.26 -31.05 62.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 70.22 110.883 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.61 28.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.2 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -20.23 65.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 74.24 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -60.26 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.899 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.9 m -50.44 -30.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.08 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.62 -54.02 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.913 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.21 -30.02 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.888 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m0 -74.57 -46.05 41.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.33 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.109 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.08 -22.65 55.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 74.15 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -54.28 17.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.836 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.18 -32.28 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.933 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.31 -35.01 79.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.116 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.98 -21.68 40.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.885 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -45.09 -36.44 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.909 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 pt -50.74 -44.41 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.32 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -40.79 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.41 -30.09 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.887 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.737 0.303 . . . . 61.04 111.125 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -51.69 -40.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.131 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -29.97 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.88 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.24 -31.37 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.81 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -50.86 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 70.15 111.089 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -65.72 -32.12 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -78.38 -34.76 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.846 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.95 -26.5 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 55.31 111.066 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -50.77 -28.38 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.13 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.31 -36.6 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 61.42 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -28.96 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.847 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -50.8 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -33.69 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.15 111.176 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -60.81 -23.83 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.64 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.42 111.051 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 58.03 36.59 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.87 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -134.65 164.28 27.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 73.11 110.926 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -114.16 48.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.73 -66.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 74.44 112.481 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -81.81 -19.8 40.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 74.55 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -49.22 -28.84 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 62.14 110.905 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -43.37 62.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.893 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.54 -23.37 53.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -33.43 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.14 -28.61 63.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.96 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -30.93 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.903 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -67.51 -40.92 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.865 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -66.93 -42.49 85.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.862 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.13 -32.38 71.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 60.01 110.9 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.48 -37.41 53.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 74.02 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.43 -29.6 60.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.802 -0.714 . . . . 55.1 112.471 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.97 -17.43 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 74.53 110.93 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 mmt -68.55 -44.17 75.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 tt -80.03 -26.12 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.34 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -73.63 -53.1 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.138 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -51.29 -29.96 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.52 111.113 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.83 64.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.12 111.093 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -43.13 57.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.108 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.27 -55.19 36.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.906 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -25.29 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.33 110.934 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -90.85 -178.09 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.66 -38.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -96.66 54.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -136.17 136.86 40.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -79.01 -31.21 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 m -77.57 -32.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.125 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -42.67 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.843 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -57.09 -49.52 75.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.71 -29.66 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.42 -42.35 82.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.55 -45.06 32.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -57.48 -48.41 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.888 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -72.17 -38.12 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.901 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.48 -35.93 91.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 74.24 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.01 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 72.03 110.88 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.95 -55.07 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.86 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -51.26 -31.37 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.52 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mp -67.75 -53.57 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.89 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.68 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.86 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -73.99 -40.53 62.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 74.53 110.958 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.76 -33.51 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.112 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.72 -22.95 56.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -52.66 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.822 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.33 -32.54 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.51 80.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.081 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.8 -21.45 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 70.22 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -44.85 -36.66 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.906 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.3 pt -50.25 -44.25 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.42 111.154 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -42.26 63.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.65 -31.58 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.845 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.792 0.329 . . . . 73.3 111.164 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.49 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.4 111.107 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.1 -42.05 97.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.823 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -26.49 49.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.42 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 72.31 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -51.09 -32.48 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 72.14 110.88 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -68.01 -42.07 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.873 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.63 67.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.084 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mm -51.1 -47.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.89 -34.85 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -36.08 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.84 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -50.99 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 62.25 111.072 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -33.03 60.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.107 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.95 -23.77 34.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.957 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -46.67 53.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.097 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 59.94 20.68 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -174.16 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.28 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.878 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.76 -89.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 63.45 112.529 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -80.49 -20.03 44.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 74.13 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -48.45 -28.8 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.918 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -46.98 64.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.894 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.77 -25.99 56.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.89 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.09 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.91 -35.52 80.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -41.87 75.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -25.9 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.853 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -69.48 -46.4 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.14 -40.66 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.58 -30.65 66.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.833 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.48 -35.83 28.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.466 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.84 94.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.7 -0.762 . . . . 74.02 112.526 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.46 -27.8 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 74.54 110.891 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 72.1 mmm -55.91 -28.65 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 tt -80.08 -24.83 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.23 111.139 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -69.47 -40.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.41 111.114 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -50.74 -29.89 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.131 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.74 -39.06 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.093 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.9 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.072 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -21.39 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.935 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -100.18 -176.18 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.12 137.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t 60.37 26.68 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 70.14 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.14 146.46 26.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 70.53 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -68.9 -37.33 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.879 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.4 m -77.3 -32.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.135 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -35.7 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -75.23 -31.21 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.87 -32.66 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 71.13 110.922 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -47.22 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.889 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.05 -43.25 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -60.74 -47.93 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -74.33 -34.82 63.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.23 86.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 72.34 112.51 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -32.03 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 74.54 110.892 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -70.05 -55.29 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -51.32 -31.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.134 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.4 mt -74.51 -35.8 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 75.54 110.912 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -79.25 -29.16 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -75.63 -46.91 28.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.93 -31.75 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.22 111.087 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.05 -23.91 55.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -54.2 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.852 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.927 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.7 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.35 111.063 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.17 -21.45 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 65.52 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -44.8 -36.62 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.5 -44.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 73.45 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.71 63.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.922 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.85 -29.98 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.754 0.312 . . . . 75.55 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.54 -42.74 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.2 111.148 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.37 -30.09 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.853 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.48 -35.92 82.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.16 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -73.22 -32.08 64.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.871 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -76.47 -31.87 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.855 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.76 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.134 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.64 -28.31 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.129 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.27 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -28.7 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.71 -50.75 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 60.31 111.054 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -68.31 -36.89 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 75.31 111.116 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.27 -23.31 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.56 12.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 64.2 111.121 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 62.88 15.59 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 176.92 88.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -155.9 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.49 7.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.2 112.513 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -60.36 -18.19 48.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 74.44 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -45.86 -32.21 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.918 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -45.43 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 71.41 110.885 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.47 -30.39 57.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.072 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.98 -28.74 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -61.35 -32.79 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.929 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -37.89 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.55 110.84 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -72.02 -40.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.903 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -37.38 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -19.29 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.36 -40.78 91.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 54.52 112.51 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.88 -38.8 35.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 75.32 112.446 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.25 -17.23 57.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 74.12 110.876 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -48.51 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.909 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -55.52 -25.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.2 111.093 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.41 -39.51 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.117 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.8 t -51.62 -30.31 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.11 111.177 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.46 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.078 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -45.97 40.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.37 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 54.31 110.878 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -25.09 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 75.42 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -91.49 -176.51 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 74.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.5 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.54 111.098 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -94.59 49.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.839 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -126.01 136.47 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.888 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -79.19 -30.8 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -77.85 -32.78 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 72.22 111.145 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -45.32 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -53.42 -48.92 68.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.843 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.42 -29.64 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.32 -42.57 87.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.887 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.42 -50.33 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.14 -41.18 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.813 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -68.7 -32.58 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.934 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.15 -52.58 22.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.499 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -22.14 65.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.35 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -60.64 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.9 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -51.14 -30.87 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.156 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -47.39 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.921 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -79.63 -30.02 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -69.88 -45.79 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 62.13 110.904 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.54 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 72.13 111.081 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.0 -22.58 55.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 71.51 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -52.68 27.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 62.01 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.12 -32.59 70.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.943 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.09 82.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.54 111.124 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.44 -22.44 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.906 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -35.94 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.942 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.6 pt -50.93 -44.17 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -40.0 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.948 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.8 -30.81 46.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.874 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.55 110.861 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.74 0.305 . . . . 73.22 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.67 -42.7 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.43 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.45 -30.0 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.88 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.81 -34.48 77.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.832 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.8 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.091 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.863 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -78.28 -33.26 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.845 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.74 -26.21 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 63.02 111.126 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 tp -50.69 -28.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.095 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.44 -33.29 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -29.04 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.889 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -47.83 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.07 -33.64 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.79 -24.99 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.23 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -51.5 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.085 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.05 57.05 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.894 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 63.25 96.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.909 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -157.77 -48.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.919 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.5 2.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 75.22 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -26.0 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 74.55 110.857 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -52.02 -31.97 32.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.978 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -47.27 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 75.44 110.841 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -74.97 -25.63 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.902 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.6 89.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 51.32 111.106 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.99 -28.69 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 70.4 110.938 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -46.05 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 71.41 110.904 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.14 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.889 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -77.51 -41.74 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.908 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.35 -31.07 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.927 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -28.01 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.876 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.59 -44.64 12.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.449 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.24 -29.02 55.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 74.53 112.516 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -77.83 -17.18 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 71.44 110.846 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.5 mmt -72.09 -39.95 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.854 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 tt -79.33 -26.06 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.147 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.22 -51.05 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 71.24 111.159 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -51.33 -30.18 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.115 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.2 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.54 111.112 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.98 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 52.03 111.036 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.28 -33.98 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.865 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -86.09 -24.22 26.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -85.97 -176.65 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 62.4 110.898 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.57 149.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 27.66 15.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.836 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 139.33 43.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.927 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -74.36 -33.46 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.62 -36.19 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 73.2 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -41.83 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.855 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.9 -47.97 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.82 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.943 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -41.51 76.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 74.01 110.927 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.52 -51.33 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.95 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -52.35 -45.06 65.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -75.76 -21.12 57.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.941 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.36 -53.95 12.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 71.33 112.514 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -19.42 57.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 73.24 110.906 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -75.13 -60.62 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -51.8 -30.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.117 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.0 mt -69.04 -52.72 25.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.78 -31.2 70.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.855 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -75.65 -38.69 58.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.29 70.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.094 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.69 -22.52 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.53 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 73.55 110.813 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.33 -32.77 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.104 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.06 -21.72 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 61.34 110.836 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -44.87 -36.57 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.876 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.02 111.126 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.947 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.04 -31.05 28.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.839 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.775 0.322 . . . . 72.43 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.66 -38.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.117 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -30.23 45.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.841 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.76 -30.87 71.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.825 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 72.31 111.091 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.12 -32.09 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.955 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -78.14 -33.66 50.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.21 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 72.22 111.087 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.69 -28.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.24 111.135 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -37.57 81.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -28.92 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.862 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -50.71 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -33.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.076 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.92 -22.95 66.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 71.53 110.947 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.74 38.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.51 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.09 108.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.35 87.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -162.57 -177.9 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 7.28 3.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -20.57 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 72.32 110.897 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -48.27 -30.32 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.95 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.89 -45.8 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.845 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -26.54 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.878 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -41.55 57.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.23 -28.77 65.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -51.72 -45.68 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.893 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -60.72 -28.43 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.84 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -77.94 -40.73 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.82 -30.22 68.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -24.98 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.825 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -51.44 6.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 72.33 112.506 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.23 -32.25 57.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.93 -23.26 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 74.31 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.5 mmm -73.65 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.842 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -26.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.132 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.59 -38.8 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -51.28 -29.61 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.0 111.102 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -37.5 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 70.41 111.105 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.78 -45.16 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.02 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.6 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -22.6 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -91.08 -178.83 5.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.935 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.65 -50.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 62.23 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.89 48.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.852 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -125.65 132.46 52.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 71.55 110.886 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -78.52 -29.36 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.01 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.61 -31.9 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.113 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -46.06 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.852 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -52.53 -48.46 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.901 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.0 -29.53 62.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 64.43 110.929 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.75 -42.58 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.86 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.49 -51.17 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.88 -39.88 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.855 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -68.98 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.893 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.62 -52.41 25.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.717 . . . . 74.31 112.525 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -24.23 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 75.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -79.22 -60.83 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 m -51.25 -30.37 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.01 111.109 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.1 mt -73.62 -37.12 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.87 -32.09 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.871 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -75.67 -41.59 53.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.4 110.96 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.74 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 70.01 111.094 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.02 -24.68 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.887 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -54.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.22 -32.94 71.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.48 78.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.099 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.9 -21.77 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.95 -36.87 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 pt -50.38 -44.22 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.196 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.07 -40.8 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.924 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -30.48 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.898 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.31 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.71 0.291 . . . . 75.13 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.45 -30.92 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 74.02 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -30.03 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.05 110.88 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.47 -23.65 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 53.3 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.07 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 64.34 111.118 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -50.81 -47.92 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.93 -34.99 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.876 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -33.8 67.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.21 111.061 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mm -53.18 -47.28 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.129 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -28.94 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.849 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.08 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 64.12 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.04 111.138 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.23 -45.46 76.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 75.05 111.104 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.56 35.2 11.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.01 110.872 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -141.23 160.32 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.871 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -117.53 110.7 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.84 -115.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 75.53 112.496 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -65.66 -22.06 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 75.31 110.863 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -51.35 -30.61 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.24 110.891 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 72.12 110.854 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.18 -31.41 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.878 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.68 62.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.31 111.116 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.35 -36.69 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.13 110.89 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -52.97 -28.83 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.891 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -37.35 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.02 110.893 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -61.45 -47.34 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.83 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.75 -36.63 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.957 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -49.87 -49.26 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.849 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.95 74.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 61.04 112.509 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.36 -29.21 56.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 54.14 112.471 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.97 -23.04 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 75.02 110.903 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.3 mmt -72.72 -28.07 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.927 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 tp -71.03 -27.25 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.123 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.85 -54.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -49.18 -45.1 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.51 111.161 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.53 111.121 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -49.93 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.24 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.24 -54.12 44.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.932 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -28.61 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.856 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -99.86 -169.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.16 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.32 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -94.02 40.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.35 137.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -35.26 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.892 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.59 -30.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 75.23 111.127 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -51.28 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.4 -27.47 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.33 -30.0 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.913 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 53' ' ' LEU . 80.0 mt -59.72 -46.3 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.938 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -41.45 49.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.915 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -51.41 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.834 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -75.9 -34.06 59.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.77 99.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.761 . . . . 71.33 112.496 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.39 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 74.51 110.857 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.58 -56.41 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.13 110.881 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -52.03 -31.57 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 53.24 111.13 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.31 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.32 -32.63 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -76.09 -47.37 24.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 64.25 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.66 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.3 111.061 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -76.65 -32.23 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -55.47 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.41 -38.64 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.16 -26.9 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.085 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.69 -23.42 39.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.88 -51.74 21.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.74 -35.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.13 111.124 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -71.09 -48.21 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.1 110.909 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -58.37 -29.11 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 62.24 110.937 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 75.42 110.836 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.764 0.316 . . . . 75.44 111.15 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.55 -43.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.137 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.85 -30.13 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.839 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.71 -36.75 81.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.808 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.27 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 65.43 111.077 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -61.14 -32.09 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.884 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -78.13 -33.5 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 54.15 110.911 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.56 57.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 72.52 111.069 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 tp -50.74 -28.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 62.21 111.173 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -30.56 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.855 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.3 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 63.25 111.087 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.17 -33.28 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.117 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -62.64 -23.25 66.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -59.41 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 65.2 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 43.75 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 70.04 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -91.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.34 110.867 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 172.2 104.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.883 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.97 -37.94 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 74.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -27.91 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 72.43 110.87 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -57.4 -28.78 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.873 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -55.73 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 75.42 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -22.5 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.6 -49.89 17.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.99 -28.28 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.893 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -50.29 -31.48 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -43.37 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.874 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.34 -41.77 89.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -30.15 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 65.21 110.911 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.67 -45.03 72.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.837 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.26 89.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 60.13 112.506 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.31 -37.36 59.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 72.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.29 -17.86 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 74.41 110.907 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.0 mmm -70.48 -29.08 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.816 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.5 tt -79.77 -25.22 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.02 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -75.02 -49.98 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.154 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -50.47 -30.66 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.11 67.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.091 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.91 -50.84 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.088 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.15 -53.1 60.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 75.34 110.882 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -61.57 -25.33 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -91.79 -177.55 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.61 140.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.14 111.086 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t 63.36 25.93 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.866 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 139.94 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.41 110.953 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -69.81 -34.47 73.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.22 -31.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 70.32 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -34.9 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.03 110.867 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.16 -34.37 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.898 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -30.27 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.15 -45.21 92.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 75.2 110.923 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.09 -30.18 58.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.899 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -70.57 -27.95 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.894 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.85 -52.45 24.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.15 112.465 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.17 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 65.33 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.08 -60.68 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.23 -30.46 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.085 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.75 -48.65 45.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.952 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.2 -27.18 64.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -55.09 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.77 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.42 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -22.27 54.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.898 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -55.08 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.889 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.11 -40.94 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.931 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -26.98 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 51.0 111.076 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.01 -23.15 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.874 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -46.45 -51.83 14.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.2 pp -51.24 -38.16 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.21 111.107 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.12 -41.75 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 60.52 110.941 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.23 -30.39 70.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.888 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 72.54 110.907 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.708 0.289 . . . . 74.34 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.47 -36.78 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 73.43 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -52.78 -30.11 31.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.1 -32.71 73.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.82 -53.45 26.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 65.22 111.107 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.71 -41.38 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -57.85 -33.5 68.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.18 58.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.081 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.4 mt -51.19 -49.65 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.02 111.097 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -51.75 -38.11 54.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -28.73 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.831 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.66 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 72.24 111.122 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -32.71 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.15 111.142 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -22.92 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' CE2' ' A' ' 23' ' ' TYR . . . -47.92 -47.54 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.113 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 59.83 63.11 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -178.24 -172.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.875 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.56 105.44 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.88 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.86 -62.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 73.25 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -22.16 39.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 74.44 110.859 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' CE2' ' HB1' ' A' ' 17' ' ' ALA . 19.4 m-85 -50.6 -49.71 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.867 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -51.88 -39.52 59.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -43.98 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 70.34 110.841 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.8 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.061 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -58.11 -30.59 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -27.33 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.894 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -45.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -59.24 -44.94 92.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.904 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.31 -36.64 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 75.41 110.947 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.37 -33.76 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 64.5 110.863 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.35 -46.35 34.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.498 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.92 -33.98 61.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 61.24 112.517 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.63 -17.48 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 71.52 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.14 -39.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.858 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.6 tp -79.65 -24.98 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.25 -53.4 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.3 111.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.83 -38.0 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.109 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.42 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 64.31 111.074 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -46.76 35.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.66 -52.48 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.74 -25.3 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.27 -177.31 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.875 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.05 -44.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.31 111.126 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 t -91.56 45.89 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.874 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -126.11 130.74 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -29.94 56.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 m -77.51 -31.94 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 71.02 111.141 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -43.68 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -57.26 -49.59 75.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.28 -29.81 66.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 73.23 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -46.84 87.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.964 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.31 -40.14 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.918 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.27 -49.71 76.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -74.21 -32.41 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.26 -35.06 76.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 73.2 112.445 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -32.55 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.707 0.289 . . . . 75.31 110.85 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.05 -60.59 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -51.19 -30.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.34 111.12 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.98 -46.2 88.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.929 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.29 -26.92 35.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -67.53 -52.81 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.18 -31.22 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.02 111.118 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.86 -21.84 54.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.857 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.5 -54.26 47.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.837 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.25 -40.88 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.882 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -26.6 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.12 111.132 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.35 -23.79 40.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -46.31 -51.66 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.907 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.3 -39.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.21 111.132 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.98 -47.98 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.929 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.7 -29.44 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.878 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 64.03 110.894 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.741 0.305 . . . . 74.33 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.94 -43.25 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.122 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.89 -30.04 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.72 -35.79 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.97 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.098 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -53.99 -32.05 52.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.885 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -76.17 -30.94 58.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.854 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.31 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.079 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -28.52 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.42 111.104 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.84 -32.64 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -34.97 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.12 110.88 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.83 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 71.11 111.098 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -32.97 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.38 -23.58 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.903 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.38 -40.6 36.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.143 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 61.23 20.71 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -178.5 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.886 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.45 91.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.25 -80.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 72.54 112.47 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -20.33 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 73.25 110.862 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -50.67 -28.32 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.943 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -39.1 64.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 74.52 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.876 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.99 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -34.12 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.12 110.919 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -78.34 -43.52 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.68 -44.28 97.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.859 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.87 -33.18 72.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.947 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -71.56 -42.22 68.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.2 110.818 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.68 94.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 72.54 112.477 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.39 -29.27 68.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 74.32 112.497 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.92 -17.2 53.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 65.12 110.905 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -38.44 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.5 tt -77.05 -25.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.166 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.53 -53.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 63.43 111.141 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -54.69 -30.08 54.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 75.12 111.146 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.92 77.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 64.34 111.12 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.18 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.14 -50.46 63.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 71.3 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -25.35 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.927 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.29 -177.3 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -172.24 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -85.98 53.37 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.896 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -141.75 136.26 30.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.41 110.94 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -31.73 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.849 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.2 m -77.11 -31.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.136 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -37.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.932 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -67.43 -50.37 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.898 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.37 -29.32 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.985 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.15 110.909 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -75.77 -47.2 26.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.93 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.81 -50.21 69.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.23 110.846 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -76.0 -20.97 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.904 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.56 -53.03 8.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 71.11 112.51 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -18.31 60.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 75.43 110.928 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -60.82 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.877 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.2 m -51.57 -30.72 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.98 -36.68 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -30.93 46.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.873 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -75.8 -36.4 59.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.919 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.47 -29.88 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.3 111.178 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.4 -22.54 54.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.858 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -56.1 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.16 -30.76 67.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.17 80.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.52 111.095 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.1 -21.47 39.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -44.79 -36.56 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.32 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -41.87 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.928 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -60.33 -27.72 67.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 70.23 110.888 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.842 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.734 0.302 . . . . 75.45 111.183 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -26.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.127 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.54 -35.12 78.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.863 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.1 -38.11 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.867 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.14 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.111 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.21 -31.99 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -78.19 -34.96 49.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.17 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -50.62 -28.4 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.13 111.141 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.88 -37.66 79.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.93 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -29.06 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.886 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.94 66.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.41 111.142 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.35 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.135 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.96 -23.55 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.872 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.36 -43.93 61.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 64.21 111.084 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 51.98 54.45 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.88 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -126.93 175.72 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -134.3 38.09 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.888 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.53 -53.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 60.24 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -81.35 -21.39 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 74.24 110.881 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -53.36 -31.93 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.965 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.71 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.895 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -33.79 60.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.83 87.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.14 111.122 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.4 -28.57 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -51.53 -34.9 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 65.03 110.931 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -72.67 -33.76 66.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.848 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -76.95 -38.37 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.83 -40.51 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -71.77 -22.09 61.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.8 60.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 71.14 112.493 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.1 -56.55 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.51 112.502 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.0 -24.82 7.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 74.12 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -28.86 65.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 tt -79.32 -25.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 73.44 111.125 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.73 -43.89 97.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.129 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 t -51.26 -29.76 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.125 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.83 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -28.55 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.109 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.29 -23.82 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.34 -24.13 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -100.89 -175.03 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -174.38 155.03 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 65.3 111.078 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t 63.24 34.4 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.04 110.87 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.45 146.31 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.54 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -78.72 -33.65 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -78.05 -36.74 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.102 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.63 -44.73 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -53.57 -48.55 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.93 -29.72 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.93 -43.8 94.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.64 -43.25 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.15 110.932 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.76 -49.13 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.846 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.91 -36.15 75.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.52 -49.78 50.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 71.45 112.485 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -29.86 57.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.748 0.309 . . . . 74.41 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -65.6 -60.71 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 64.03 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.7 m -51.38 -30.58 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.41 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.1 -52.87 23.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.51 110.909 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.93 -27.84 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -75.82 -50.95 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.93 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.23 60.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 70.21 111.073 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.19 -22.55 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 74.51 110.877 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -53.62 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 72.12 110.867 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.2 -32.74 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.943 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.74 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.132 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.03 -21.76 39.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.53 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.87 -36.34 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.958 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.37 -44.41 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.132 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -41.83 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.68 32.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.871 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 75.01 110.851 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 73.23 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.15 67.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 72.45 112.498 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -155.25 148.81 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 75.22 111.12 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.9 mm -51.51 -41.52 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 73.4 111.138 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.01 -30.08 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.864 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.86 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.26 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 64.05 111.09 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.56 -32.11 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -76.92 -31.59 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 75.31 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.5 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 tp -50.95 -28.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.41 111.112 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -62.27 -39.73 93.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -28.76 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.868 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.34 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 72.2 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -36.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 73.02 111.133 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -63.33 -23.41 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -55.72 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.104 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.16 55.06 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.879 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -161.08 175.83 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -114.56 106.78 14.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.83 -139.69 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.502 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -58.55 -19.86 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.31 110.835 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -48.58 -28.64 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.907 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -66.78 -45.25 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.82 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.71 -22.4 53.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.43 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.97 82.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 62.25 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.29 -36.66 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -36.15 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.939 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.48 -38.96 91.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 73.21 110.902 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -68.06 -42.66 80.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.58 -30.18 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.93 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.835 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.52 72.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 75.23 112.458 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.95 -29.5 55.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 52.33 112.502 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.47 -17.7 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 70.05 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 mmt -70.57 -35.81 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.842 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tt -80.0 -25.75 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.25 111.129 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.01 -50.33 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.04 111.159 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -49.95 -37.04 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.43 111.167 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.78 87.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.066 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -41.69 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 72.15 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.27 -51.14 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -23.72 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.891 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -105.11 -169.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.06 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.101 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.94 57.01 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.846 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.89 129.77 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.14 -35.28 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 62.33 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 m -72.87 -31.07 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.04 111.079 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -34.28 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.869 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -71.61 -35.45 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.932 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.9 -34.12 51.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.908 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -40.6 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.876 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.33 -51.26 12.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 74.35 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -56.17 -46.45 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -70.71 -29.84 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.87 -51.02 26.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 64.02 112.477 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.76 67.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 74.42 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.24 -61.0 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.838 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.16 -30.98 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.137 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.94 -41.17 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.55 -27.54 34.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 63.53 110.91 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -47.89 22.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.23 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.106 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.71 -28.35 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -53.74 41.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.22 -35.23 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.58 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 45.25 111.089 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.11 -21.99 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -44.97 -36.84 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.4 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.8 pt -50.41 -44.2 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.138 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -41.0 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -30.44 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 53.44 110.895 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.9 t60 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.879 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.328 . . . . 63.44 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.39 44.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 75.25 112.507 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -155.56 150.69 26.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 72.41 111.137 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.94 -36.02 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.1 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.0 -30.03 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.89 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.85 -23.64 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.866 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.39 -56.06 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.04 111.087 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.08 -47.43 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.43 -35.49 75.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.88 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.0 mm -62.37 -29.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.124 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -60.5 -37.86 82.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.893 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -29.04 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.16 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.34 111.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -37.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.53 111.123 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -23.39 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.923 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -55.59 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 62.12 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.4 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.35 -169.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 75.05 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.32 45.68 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.9 -30.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 71.52 112.518 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.54 -30.3 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 75.21 110.868 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.75 -31.69 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 62.31 110.93 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.38 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 75.42 110.846 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.53 -27.15 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.945 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.34 -35.84 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 74.53 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.3 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -42.73 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.887 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.56 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.891 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -78.53 -40.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.912 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.5 -30.23 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.48 -29.47 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.817 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.95 23.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 72.04 112.472 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.22 -29.32 56.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 63.04 112.49 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.1 -17.22 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 74.31 110.883 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.5 mmt -70.59 -28.79 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.8 tt -79.85 -24.91 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.146 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.29 -40.59 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.25 111.162 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -50.89 -29.67 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.53 111.122 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.32 -37.69 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.148 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -46.99 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.117 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.83 -54.99 35.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -25.74 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 72.4 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -100.64 -176.49 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.843 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.84 -61.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 71.32 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -92.12 55.63 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.851 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.42 146.76 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -75.3 -35.44 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -77.15 -31.98 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.142 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -35.78 47.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.906 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.23 -30.35 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 53.33 110.866 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.73 -36.36 50.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.3 110.905 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.92 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.85 -45.86 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.21 -50.2 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.878 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -75.24 -21.14 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.34 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.1 -53.24 10.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 72.44 112.497 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -18.4 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 74.14 110.882 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.35 -60.73 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -52.77 -30.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -71.03 -46.63 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.24 -32.37 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.896 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.7 -36.33 60.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.937 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.18 -33.24 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.45 111.098 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.872 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -52.67 59.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.32 -36.72 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.933 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.9 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 70.35 111.09 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.92 -22.84 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.845 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -47.79 -51.3 23.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.37 -34.39 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 75.24 111.159 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.22 -50.31 34.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.899 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -56.66 -30.59 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.825 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.17 67.19 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 72.33 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -156.53 148.36 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 72.51 111.158 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.57 -42.31 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.15 111.149 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.0 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.902 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.853 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.3 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.21 111.124 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -66.9 -32.12 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.922 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -78.29 -33.72 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.22 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 55.15 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tt -50.53 -28.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.163 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.62 -30.77 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.15 110.879 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -36.88 61.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.899 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 64.52 111.107 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.57 -34.33 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.147 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -25.1 63.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.887 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.112 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 61.4 61.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 75.15 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.23 100.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -143.31 -64.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.875 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.24 -32.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 74.42 112.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -19.96 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 64.12 110.872 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -48.39 -30.56 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.938 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -70.28 -45.02 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 75.41 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.35 -21.62 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 64.3 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.22 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 55.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.85 -28.91 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -31.82 28.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.908 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.13 -37.28 75.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.913 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -79.01 -33.66 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.48 -33.81 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.932 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.33 -18.73 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.898 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.01 93.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 72.02 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 -31.1 34.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 64.52 112.52 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.53 -17.52 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.343 . . . . 74.1 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -35.53 57.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.865 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 tp -79.68 -26.33 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.137 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.61 -45.92 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.108 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -51.04 -31.03 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.173 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -38.2 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.098 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -55.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.93 -45.91 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 63.52 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -68.79 -23.86 64.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -94.89 -178.35 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.915 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.75 -53.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.075 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -84.49 54.91 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.826 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -132.85 131.96 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.11 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.937 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.34 -31.97 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.34 111.124 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -46.04 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.41 -48.73 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 tp -73.83 -29.67 62.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.84 -42.7 89.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.935 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.34 -51.39 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.927 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -55.67 -35.14 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.86 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -71.44 -31.12 66.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 75.53 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.25 -44.74 58.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 61.5 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -20.88 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 75.44 110.929 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.21 -60.57 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 60.32 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -50.38 -30.97 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.113 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.92 -46.6 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.941 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.0 -32.77 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.849 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -75.76 -48.6 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.91 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.3 -31.02 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 74.3 111.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.13 -22.74 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.4 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -52.25 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.871 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.25 -32.48 70.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.942 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.23 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.15 111.124 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.06 -21.77 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 64.32 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -44.82 -36.65 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.44 -44.36 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.02 111.119 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.22 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 75.2 110.929 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -32.36 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.842 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.347 . . . . 73.55 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.81 82.74 0.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 64.31 112.471 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -134.03 147.34 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 64.41 111.13 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -51.68 -37.34 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.22 111.08 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -29.99 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.894 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.53 -38.12 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 71.31 110.832 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.31 90.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.33 -31.99 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -76.93 -31.69 56.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 74.54 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.34 57.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.092 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -28.61 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.169 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.04 -37.57 54.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 72.32 110.911 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -36.85 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -50.69 68.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.108 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tt -67.51 -35.05 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.121 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -23.45 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 65.5 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.19 -56.91 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 64.44 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 48.27 37.67 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.866 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.21 -74.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.846 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 179.55 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.87 5.19 4.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 75.34 112.5 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.89 -44.32 91.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 74.04 110.865 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -50.91 -30.24 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 73.11 110.966 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -49.86 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.23 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.37 -23.05 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.66 52.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 63.14 111.122 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.35 -28.69 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -31.03 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.925 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -71.89 -37.47 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 75.05 110.834 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -79.28 -32.77 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -34.91 66.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 63.13 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.52 -18.99 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.869 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.66 -42.58 87.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 74.21 112.539 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.7 91.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.22 112.445 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -17.7 56.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 73.21 110.915 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -48.95 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 75.01 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.9 tp -80.1 -26.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.52 111.137 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.73 -45.72 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.128 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 t -51.45 -30.0 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 71.25 111.147 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.68 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.18 64.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.51 111.08 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.24 -52.84 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 70.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.75 66.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -86.48 -179.53 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -164.96 -54.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 70.11 111.119 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -90.58 47.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.01 110.898 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.02 130.01 52.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -28.96 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.91 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 m -77.55 -31.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.12 111.124 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.15 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -54.23 -48.92 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tt -72.3 -30.19 64.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.13 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -46.23 88.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.902 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.58 -43.03 40.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.877 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -55.12 -44.37 74.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 73.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.14 -31.38 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 75.44 110.893 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.54 -52.53 15.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.799 -0.715 . . . . 74.42 112.491 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -21.12 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 73.15 110.88 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.63 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.6 m -50.72 -30.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.122 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.96 -44.02 56.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.918 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.9 -27.43 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 71.02 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.68 -47.87 24.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.38 -31.22 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.088 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.36 -22.58 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.886 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.95 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.13 -33.71 72.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.908 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 72.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.19 -22.0 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -45.06 -37.26 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.56 -44.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -39.56 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.31 -29.01 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.852 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ptt? . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.805 0.336 . . . . 70.04 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.93 46.31 0.9 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.725 -0.75 . . . . 64.53 112.506 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 p -133.12 145.84 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.724 0.297 . . . . 74.43 111.183 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -51.54 -41.41 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.132 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -30.0 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.889 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -33.26 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.896 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.07 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -66.48 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -78.07 -33.09 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.815 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.33 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.04 111.107 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 tp -50.55 -28.55 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.31 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.53 -45.34 73.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.88 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -29.24 70.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.879 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.83 60.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 64.5 111.061 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -34.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 74.34 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.95 -25.53 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 75.1 110.94 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.11 -30.01 24.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.41 111.059 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 52.41 48.31 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 t30 63.21 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.43 110.891 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.99 -41.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.17 -19.6 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 62.34 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.96 -25.84 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.34 110.903 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -53.28 -29.0 30.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.91 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -46.51 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.15 110.898 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.2 -26.05 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.55 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 54.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.22 -28.76 63.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -52.5 -40.64 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.878 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -27.5 65.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.862 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.72 -46.5 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.884 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.46 -38.37 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -31.2 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.83 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.49 -27.0 55.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 73.44 112.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.23 -46.84 14.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 74.14 112.468 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.42 -17.86 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 73.32 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tt -79.31 -24.88 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.51 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.97 -43.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.142 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -51.32 -29.84 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 74.12 111.154 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.58 61.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.09 45.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.21 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.22 -55.63 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.898 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -23.52 65.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -91.24 -178.64 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.87 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.57 -45.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.126 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -91.6 45.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.5 110.864 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -124.75 133.04 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -78.03 -29.8 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.51 -32.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.129 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -45.79 6.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.897 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -52.75 -48.63 66.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.95 -29.52 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.34 -41.85 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.936 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -76.06 -47.09 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 64.33 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -57.26 -50.05 74.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 62.22 110.87 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -66.73 -21.54 66.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.862 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.13 -52.62 35.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 55.13 112.488 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -19.34 58.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.292 . . . . 75.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.06 -60.5 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.876 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -50.86 -31.08 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.42 111.14 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.07 -53.9 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.96 -32.39 72.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -45.96 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 74.02 110.932 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.62 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.1 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -75.56 -22.49 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -53.4 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.831 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.37 -36.45 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.92 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.69 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.105 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -80.47 -23.29 40.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -47.77 -51.73 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -35.27 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -49.45 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.915 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.86 -30.82 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.922 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.855 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 73.44 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.5 64.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.43 112.509 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 t -153.33 149.37 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 73.41 111.155 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.41 -39.9 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.125 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.81 -30.08 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.866 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -64.11 -33.65 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.807 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.18 79.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 70.54 111.121 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -62.53 -32.25 73.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -78.14 -33.48 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 71.53 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.86 -26.14 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.06 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 tp -50.73 -28.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.71 -30.68 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.915 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -34.9 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.891 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.62 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -33.25 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.51 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -63.79 -22.24 66.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 74.52 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.68 -55.84 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.98 71.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.85 -168.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -131.67 67.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.872 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.53 -31.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 60.35 112.467 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -80.83 -25.07 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 74.35 110.85 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.74 -29.23 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.927 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -36.88 64.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.883 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.52 -25.5 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.14 -49.79 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.149 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.33 -28.59 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -30.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.903 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -42.07 89.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.826 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.81 -41.63 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.891 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.55 -30.08 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -31.46 67.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.15 110.842 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.16 -40.84 33.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.524 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.16 -29.35 55.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.21 112.477 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.07 -17.4 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 72.41 110.847 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 mmt -68.7 -42.08 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 tt -79.83 -25.9 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.147 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -73.99 -53.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.149 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -51.48 -30.01 18.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.119 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.12 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.51 111.073 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.74 -44.78 48.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 52.23 111.073 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.94 -55.81 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.897 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -25.34 64.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.5 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.79 -177.64 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.876 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.64 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.077 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.0 m -93.06 54.48 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 65.23 110.85 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -134.41 135.8 42.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.15 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.09 -30.81 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.0 m -77.72 -32.3 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.088 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -43.65 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.885 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.16 -49.2 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 55.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.8 -40.97 81.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.922 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.62 -51.29 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.98 -38.83 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.55 110.833 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -73.36 -33.05 64.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.41 -48.88 34.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 72.31 112.478 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.06 66.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.733 0.301 . . . . 74.14 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.02 -60.72 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.09 -30.61 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.43 111.16 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.46 -52.82 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.896 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.4 -30.87 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 73.23 110.916 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -72.32 -51.01 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.86 61.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.34 111.09 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.6 -21.78 55.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 74.15 110.838 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -58.6 -55.35 36.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.875 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.15 -41.3 74.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.54 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.62 -26.75 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 61.14 111.109 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.75 -22.97 42.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 62.34 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -46.19 -51.94 13.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.897 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.2 pp -50.96 -38.67 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.113 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.96 -49.96 46.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.9 -29.49 65.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.55 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.86 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 75.23 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.94 54.29 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 53.32 112.478 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.8 p -133.48 147.13 51.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 72.34 111.142 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.55 -38.61 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 71.42 111.155 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.14 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 62.25 110.881 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.39 -32.67 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.849 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -53.6 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.13 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -51.91 -32.48 32.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -64.69 -47.21 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.868 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.19 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.132 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.61 -43.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.158 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.75 -40.04 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.07 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.84 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.89 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -36.68 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -63.27 -23.41 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -51.96 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 56.44 57.11 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -136.88 177.22 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -129.15 52.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.44 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.65 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.753 . . . . 65.52 112.469 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.27 -21.38 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 75.5 110.899 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -53.38 -31.45 44.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.936 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.9 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.44 110.858 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -35.2 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.32 110.883 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.069 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.39 -29.38 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -36.96 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.902 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -62.87 -34.03 76.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.877 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -76.64 -39.23 52.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.47 -30.24 64.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.944 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -26.85 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.11 -33.66 35.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.478 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.1 -29.38 55.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.53 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.56 -17.25 54.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.25 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 mtt -73.6 -29.03 62.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.859 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.6 tt -80.04 -25.07 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.8 t -68.29 -41.74 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.1 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 t -50.85 -29.51 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.108 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.12 -38.0 61.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 73.23 111.125 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.63 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.156 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.54 -54.71 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -25.23 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 72.2 110.895 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -100.88 -175.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.48 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 63.13 111.094 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.35 54.01 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.889 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -122.43 140.48 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 75.34 110.932 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -70.35 -35.78 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.33 -32.14 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.121 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -34.92 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.13 -31.73 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.69 -34.1 52.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -45.57 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.9 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -50.44 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -53.54 -50.38 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.24 -20.96 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.897 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.01 -53.59 9.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 73.43 112.468 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -18.57 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 74.12 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -76.71 -60.41 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 64.31 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -50.92 -30.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.35 111.124 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.43 -53.94 24.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.4 110.875 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.64 -32.2 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 71.25 110.933 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -32.65 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.97 -29.23 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 62.35 111.113 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.63 -22.39 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 61.14 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -50.55 61.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.28 -31.99 69.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.47 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.22 111.071 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.97 -21.74 40.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 65.31 110.862 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -44.9 -36.37 3.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.6 -44.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.117 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.18 -41.31 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.87 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -30.62 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.893 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.885 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.776 0.322 . . . . 62.02 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.51 -64.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 65.44 112.466 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -151.58 147.44 26.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 71.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.67 -43.6 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.34 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -52.08 -30.02 24.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 74.1 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.52 -37.34 85.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.864 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.34 89.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 73.33 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.77 -32.11 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.09 -33.46 50.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.33 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 52.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 tt -50.59 -28.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.5 -33.93 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -34.04 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.885 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.82 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.083 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 tt -66.14 -33.7 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.52 111.17 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.97 -23.8 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.898 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.58 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.34 111.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 63.25 62.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.882 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.42 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.99 -46.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 62.45 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.63 -28.79 4.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 50.31 112.499 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -21.88 41.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 71.34 110.879 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -51.64 -28.69 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.908 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -37.38 65.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.24 110.921 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -23.32 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.39 46.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.42 111.104 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.71 -29.14 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -31.09 64.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.9 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -34.04 61.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.15 110.827 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -79.13 -36.32 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.24 110.869 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.95 -35.76 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.909 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.47 -18.9 62.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 61.54 110.87 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -38.61 93.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.754 . . . . 64.14 112.45 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.24 47.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 70.23 112.526 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.35 -17.42 64.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 71.24 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 mmt -67.0 -45.37 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 62.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.7 tt -79.27 -25.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.2 111.151 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.65 -52.99 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.136 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -53.14 -30.07 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.6 75.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 54.01 111.123 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.71 -38.06 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.3 111.092 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.17 -47.77 72.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -67.78 -25.43 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.915 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.72 -176.45 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.907 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.73 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -91.13 59.86 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -145.06 137.1 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.21 110.921 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -77.72 -31.85 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -77.3 -32.37 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 63.34 111.099 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -38.18 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.891 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.47 -48.14 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.1 -31.47 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.93 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -40.26 74.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.03 110.919 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.28 -50.48 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 63.34 110.899 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -51.52 -44.02 62.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.883 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.19 -28.84 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.935 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.28 14.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.47 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -22.52 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 74.5 110.922 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.57 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.06 -30.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.31 -42.24 88.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.6 -27.22 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -71.75 -51.04 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.924 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -30.68 60.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.12 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.31 -23.6 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.03 110.902 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -50.76 61.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 61.32 110.886 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.23 -32.89 70.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.8 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 73.03 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.09 -21.58 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 73.34 110.917 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -44.89 -36.59 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 pt -50.36 -44.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 72.23 111.09 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -41.82 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.939 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -30.2 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 63.51 110.845 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.833 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtp . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.826 0.346 . . . . 64.42 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.06 61.0 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.487 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -136.71 151.45 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 64.2 111.109 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.71 -32.14 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.105 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.33 -29.88 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.876 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.08 -23.46 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 64.35 110.925 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.28 -54.15 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -51.64 -47.85 63.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.88 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.12 -35.74 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.22 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.4 mm -66.96 -32.98 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.42 111.142 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -58.44 -35.28 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.857 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -40.84 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.82 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.058 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -35.75 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.12 111.175 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -25.39 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 55.42 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.7 -46.57 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 44.11 111.083 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.07 61.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 62.23 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 63.23 105.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.45 110.887 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -156.19 -44.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.89 -17.89 4.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.12 112.51 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.03 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 73.34 110.916 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -51.83 -39.62 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 70.34 110.931 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -54.25 32.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 74.15 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.3 -26.24 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.53 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.086 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.65 -38.43 87.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 75.04 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -51.74 -48.57 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.933 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -58.21 -29.36 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.866 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.72 -29.89 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.51 -20.51 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.42 -49.13 33.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 52.12 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.01 -34.15 61.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 72.22 112.461 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.97 -17.55 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 71.45 110.841 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.4 -50.44 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -80.35 -26.14 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.137 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.04 -42.51 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.35 111.176 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 t -51.27 -29.71 15.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.179 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.09 -51.01 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.131 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.91 -32.57 72.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.21 -35.27 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.917 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.16 12.81 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.96 -179.62 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 73.4 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.08 142.46 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.12 111.068 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t 52.04 36.27 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.908 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -84.0 -29.62 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 m -78.92 -32.19 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -37.54 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.875 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.75 -48.24 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.886 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 tt -73.01 -30.36 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.93 88.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.21 110.879 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -76.69 -31.63 57.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.933 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -67.2 -50.22 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 71.13 110.817 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -68.5 -37.99 80.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.956 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.95 93.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 71.34 112.462 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -31.59 58.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 75.33 110.889 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -70.82 -59.01 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 m -50.25 -31.54 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.32 111.144 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -74.74 -38.31 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.946 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.33 -27.33 56.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 62.02 110.859 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -75.66 -45.86 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.56 59.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.53 111.08 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.72 -24.72 56.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.01 110.857 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -53.36 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.827 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.38 -37.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 71.21 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.83 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.102 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.57 -23.3 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.91 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -47.69 -51.85 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -35.23 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -50.83 47.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.916 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.53 -27.38 67.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.935 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.785 0.326 . . . . 74.53 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.55 65.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 73.22 112.507 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t -154.11 149.28 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 71.34 111.126 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.66 -40.35 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.115 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.71 -30.02 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.899 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -32.81 74.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.865 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.29 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.123 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.94 -32.1 68.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.867 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -78.12 -33.3 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.887 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.29 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -28.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.113 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.3 -33.69 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -28.93 59.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.893 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.87 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -37.08 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.14 111.115 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -63.16 -23.53 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.32 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.22 111.121 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 52.55 47.75 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -130.61 169.64 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.853 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.6 56.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.22 -61.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 55.21 112.473 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -21.8 40.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 73.23 110.87 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.53 -28.39 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -73.55 -37.96 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.69 -22.67 56.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.69 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.44 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.7 -28.68 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 74.4 110.902 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -51.57 -30.24 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -52.09 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.914 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.98 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.903 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.14 -33.96 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 74.03 110.962 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.21 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.54 110.858 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.57 90.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.8 -54.12 6.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 73.11 112.498 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -57.77 -23.04 50.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 74.23 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -34.48 64.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.857 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 73.21 111.123 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.88 -31.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.124 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.4 t -60.7 -31.43 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 64.11 111.156 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -49.27 77.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.78 -29.07 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.1 111.086 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.72 -18.34 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.855 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -99.74 -18.71 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.42 -176.6 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.75 155.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 60.54 111.065 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.1 26.46 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.43 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.79 136.03 49.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 70.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -71.38 -32.66 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.53 -30.82 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -52.29 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.92 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -57.82 -27.44 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.7 tp -78.28 -35.47 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.28 -48.55 73.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.34 -51.36 20.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.92 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -51.62 -43.69 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.858 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -74.26 -31.05 62.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 70.22 110.883 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.61 28.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.2 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -20.23 65.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 74.24 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -60.26 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.899 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.9 m -50.44 -30.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.08 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.62 -54.02 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.913 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.21 -30.02 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.888 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m0 -74.57 -46.05 41.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.33 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.109 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.08 -22.65 55.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 74.15 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -54.28 17.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.836 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.18 -32.28 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.933 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.31 -35.01 79.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.116 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.98 -21.68 40.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.885 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -45.09 -36.44 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.909 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 pt -50.74 -44.41 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.32 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -40.79 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.41 -30.09 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.887 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 70.43 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.22 19.22 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 71.12 112.477 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -136.58 146.37 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.737 0.303 . . . . 61.04 111.125 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -51.69 -40.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.131 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -29.97 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.88 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.24 -31.37 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.81 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -50.86 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 70.15 111.089 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -65.72 -32.12 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -78.38 -34.76 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.846 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.95 -26.5 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 55.31 111.066 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -50.77 -28.38 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.13 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.31 -36.6 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 61.42 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -28.96 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.847 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -50.8 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -33.69 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.15 111.176 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -60.81 -23.83 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.64 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.42 111.051 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 58.03 36.59 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.87 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -134.65 164.28 27.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 73.11 110.926 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -114.16 48.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.73 -66.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 74.44 112.481 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -81.81 -19.8 40.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 74.55 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -49.22 -28.84 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 62.14 110.905 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -43.37 62.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.893 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.54 -23.37 53.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -33.43 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.14 -28.61 63.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.96 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -30.93 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.903 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -67.51 -40.92 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.865 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -66.93 -42.49 85.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.862 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.13 -32.38 71.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 60.01 110.9 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.48 -37.41 53.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 74.02 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.43 -29.6 60.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.802 -0.714 . . . . 55.1 112.471 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.97 -17.43 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 74.53 110.93 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 mmt -68.55 -44.17 75.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 tt -80.03 -26.12 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.34 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -73.63 -53.1 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.138 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -51.29 -29.96 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.52 111.113 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.83 64.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.12 111.093 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -43.13 57.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.108 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.27 -55.19 36.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.906 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -25.29 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.33 110.934 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -90.85 -178.09 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.66 -38.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -96.66 54.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -136.17 136.86 40.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -79.01 -31.21 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 m -77.57 -32.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.125 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -42.67 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.843 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -57.09 -49.52 75.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.71 -29.66 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.42 -42.35 82.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.55 -45.06 32.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -57.48 -48.41 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.888 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -72.17 -38.12 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.901 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.48 -35.93 91.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 74.24 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.01 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 72.03 110.88 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.95 -55.07 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.86 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -51.26 -31.37 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.52 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mp -67.75 -53.57 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.89 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.68 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.86 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -73.99 -40.53 62.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 74.53 110.958 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.76 -33.51 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.112 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.72 -22.95 56.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -52.66 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.822 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.33 -32.54 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.51 80.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.081 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.8 -21.45 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 70.22 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -44.85 -36.66 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.906 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.3 pt -50.25 -44.25 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.42 111.154 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -42.26 63.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.65 -31.58 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.845 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 75.25 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.64 68.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 74.41 112.503 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p -143.64 175.67 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 73.3 111.164 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.49 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.4 111.107 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.1 -42.05 97.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.823 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -26.49 49.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.42 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 72.31 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -51.09 -32.48 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 72.14 110.88 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -68.01 -42.07 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.873 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.63 67.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.084 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mm -51.1 -47.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.89 -34.85 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -36.08 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.84 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -50.99 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 62.25 111.072 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -33.03 60.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.107 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.95 -23.77 34.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.957 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -46.67 53.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.097 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 59.94 20.68 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -174.16 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.28 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.878 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.76 -89.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 63.45 112.529 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -80.49 -20.03 44.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 74.13 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -48.45 -28.8 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.918 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -46.98 64.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.894 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.77 -25.99 56.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.89 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.09 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.91 -35.52 80.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -41.87 75.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -25.9 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.853 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -69.48 -46.4 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.14 -40.66 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.58 -30.65 66.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.833 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.48 -35.83 28.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.466 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.84 94.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.7 -0.762 . . . . 74.02 112.526 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.46 -27.8 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 74.54 110.891 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 72.1 mmm -55.91 -28.65 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 tt -80.08 -24.83 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.23 111.139 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -69.47 -40.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.41 111.114 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -50.74 -29.89 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.131 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.74 -39.06 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.093 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.9 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.072 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -21.39 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.935 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -100.18 -176.18 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.12 137.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t 60.37 26.68 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 70.14 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.14 146.46 26.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 70.53 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -68.9 -37.33 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.879 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.4 m -77.3 -32.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.135 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -35.7 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -75.23 -31.21 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.87 -32.66 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 71.13 110.922 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -47.22 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.889 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.05 -43.25 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -60.74 -47.93 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -74.33 -34.82 63.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.23 86.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 72.34 112.51 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -32.03 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 74.54 110.892 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -70.05 -55.29 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -51.32 -31.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.134 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.4 mt -74.51 -35.8 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 75.54 110.912 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -79.25 -29.16 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -75.63 -46.91 28.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.93 -31.75 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.22 111.087 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.05 -23.91 55.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -54.2 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.852 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.927 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.7 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.35 111.063 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.17 -21.45 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 65.52 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -44.8 -36.62 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.5 -44.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 73.45 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.71 63.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.922 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.85 -29.98 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.833 0.349 . . . . 75.12 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.84 148.95 4.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.498 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 t -150.72 148.24 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 75.55 111.18 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.54 -42.74 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.2 111.148 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.37 -30.09 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.853 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.48 -35.92 82.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.16 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -73.22 -32.08 64.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.871 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -76.47 -31.87 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.855 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.76 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.134 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.64 -28.31 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.129 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.27 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -28.7 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.71 -50.75 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 60.31 111.054 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -68.31 -36.89 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 75.31 111.116 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.27 -23.31 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.56 12.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 64.2 111.121 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 62.88 15.59 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 176.92 88.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -155.9 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.49 7.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.2 112.513 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -60.36 -18.19 48.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 74.44 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -45.86 -32.21 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.918 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -45.43 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 71.41 110.885 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.47 -30.39 57.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.072 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.98 -28.74 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.906 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -61.35 -32.79 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.929 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -37.89 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.55 110.84 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -72.02 -40.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.903 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -37.38 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -19.29 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.36 -40.78 91.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 54.52 112.51 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.88 -38.8 35.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 75.32 112.446 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.25 -17.23 57.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 74.12 110.876 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -48.51 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.909 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -55.52 -25.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.2 111.093 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.41 -39.51 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.117 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.8 t -51.62 -30.31 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.11 111.177 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.46 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.078 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -45.97 40.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.37 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 54.31 110.878 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -25.09 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 75.42 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -91.49 -176.51 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 74.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.5 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.54 111.098 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -94.59 49.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.839 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -126.01 136.47 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.888 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -79.19 -30.8 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -77.85 -32.78 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 72.22 111.145 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -45.32 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -53.42 -48.92 68.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.843 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.42 -29.64 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.32 -42.57 87.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.887 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.42 -50.33 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.14 -41.18 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.813 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -68.7 -32.58 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.934 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.15 -52.58 22.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.499 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -22.14 65.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.35 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -60.64 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.9 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -51.14 -30.87 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.156 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -47.39 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.921 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -79.63 -30.02 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -69.88 -45.79 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 62.13 110.904 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.54 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 72.13 111.081 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.0 -22.58 55.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 71.51 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -52.68 27.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 62.01 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.12 -32.59 70.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.943 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.09 82.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.54 111.124 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.44 -22.44 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.906 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -35.94 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.942 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.6 pt -50.93 -44.17 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -40.0 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.948 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.8 -30.81 46.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.874 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.55 110.861 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 73.41 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.77 90.32 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 63.02 112.477 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 p -129.2 145.71 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 73.22 111.164 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.67 -42.7 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.43 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.45 -30.0 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.88 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.81 -34.48 77.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.832 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.8 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.091 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.863 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -78.28 -33.26 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.845 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.74 -26.21 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 63.02 111.126 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 tp -50.69 -28.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.095 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.44 -33.29 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -29.04 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.889 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -47.83 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.07 -33.64 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.79 -24.99 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.23 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -51.5 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.085 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.05 57.05 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.894 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 63.25 96.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.909 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -157.77 -48.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.919 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.5 2.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 75.22 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -26.0 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 74.55 110.857 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -52.02 -31.97 32.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.978 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -47.27 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 75.44 110.841 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -74.97 -25.63 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.902 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.6 89.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 51.32 111.106 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.99 -28.69 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 70.4 110.938 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -46.05 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 71.41 110.904 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.14 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.889 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -77.51 -41.74 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.908 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.35 -31.07 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.927 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -28.01 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.876 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.59 -44.64 12.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.449 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.24 -29.02 55.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 74.53 112.516 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -77.83 -17.18 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 71.44 110.846 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.5 mmt -72.09 -39.95 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.854 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 tt -79.33 -26.06 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.147 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.22 -51.05 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 71.24 111.159 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -51.33 -30.18 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.115 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.2 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.54 111.112 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.98 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 52.03 111.036 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.28 -33.98 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.865 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -86.09 -24.22 26.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -85.97 -176.65 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 62.4 110.898 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.57 149.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 27.66 15.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.836 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 139.33 43.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.927 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -74.36 -33.46 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.62 -36.19 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 73.2 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -41.83 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.855 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.9 -47.97 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.82 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.943 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -41.51 76.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 74.01 110.927 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.52 -51.33 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.95 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -52.35 -45.06 65.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -75.76 -21.12 57.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.941 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.36 -53.95 12.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 71.33 112.514 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -19.42 57.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 73.24 110.906 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -75.13 -60.62 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -51.8 -30.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.117 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.0 mt -69.04 -52.72 25.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.78 -31.2 70.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.855 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -75.65 -38.69 58.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.29 70.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.094 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.69 -22.52 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.53 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 73.55 110.813 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.33 -32.77 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.104 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.06 -21.72 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 61.34 110.836 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -44.87 -36.57 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.876 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.02 111.126 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.947 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.04 -31.05 28.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.839 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.818 0.342 . . . . 74.42 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.73 66.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 63.02 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -134.79 148.19 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.322 . . . . 72.43 111.146 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.66 -38.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.117 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -30.23 45.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.841 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.76 -30.87 71.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.825 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 72.31 111.091 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.12 -32.09 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.955 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -78.14 -33.66 50.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.21 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 72.22 111.087 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.69 -28.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.24 111.135 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -37.57 81.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -28.92 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.862 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -50.71 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -33.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.076 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.92 -22.95 66.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 71.53 110.947 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.74 38.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.51 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.09 108.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.35 87.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -162.57 -177.9 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 7.28 3.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -20.57 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 72.32 110.897 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -48.27 -30.32 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.95 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.89 -45.8 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.845 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -26.54 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.878 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -41.55 57.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.23 -28.77 65.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -51.72 -45.68 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.893 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -60.72 -28.43 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.84 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -77.94 -40.73 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.82 -30.22 68.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -24.98 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.825 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -51.44 6.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 72.33 112.506 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.23 -32.25 57.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.93 -23.26 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 74.31 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.5 mmm -73.65 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.842 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -26.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.132 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.59 -38.8 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -51.28 -29.61 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.0 111.102 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -37.5 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 70.41 111.105 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.78 -45.16 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.02 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.6 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -22.6 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -91.08 -178.83 5.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.935 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.65 -50.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 62.23 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.89 48.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.852 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -125.65 132.46 52.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 71.55 110.886 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -78.52 -29.36 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.01 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.61 -31.9 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.113 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -46.06 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.852 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -52.53 -48.46 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.901 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.0 -29.53 62.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 64.43 110.929 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.75 -42.58 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.86 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.49 -51.17 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.88 -39.88 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.855 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -68.98 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.893 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.62 -52.41 25.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.717 . . . . 74.31 112.525 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -24.23 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 75.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -79.22 -60.83 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 m -51.25 -30.37 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.01 111.109 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.1 mt -73.62 -37.12 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.87 -32.09 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.871 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -75.67 -41.59 53.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.4 110.96 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.74 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 70.01 111.094 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.02 -24.68 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.887 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -54.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.22 -32.94 71.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.48 78.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.099 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.9 -21.77 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.95 -36.87 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 pt -50.38 -44.22 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.196 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.07 -40.8 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.924 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -30.48 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.898 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.31 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.825 0.345 . . . . 74.03 110.858 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.65 54.36 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 72.24 112.46 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p -138.49 152.33 48.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 75.13 111.146 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.45 -30.92 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 74.02 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -30.03 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.05 110.88 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.47 -23.65 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 53.3 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.07 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 64.34 111.118 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -50.81 -47.92 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.93 -34.99 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.876 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -33.8 67.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.21 111.061 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mm -53.18 -47.28 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.129 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -28.94 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.849 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.08 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 64.12 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.04 111.138 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.23 -45.46 76.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 75.05 111.104 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.56 35.2 11.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.01 110.872 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -141.23 160.32 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.871 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -117.53 110.7 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.84 -115.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 75.53 112.496 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -65.66 -22.06 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 75.31 110.863 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -51.35 -30.61 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.24 110.891 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 72.12 110.854 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.18 -31.41 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.878 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.68 62.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.31 111.116 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.35 -36.69 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.13 110.89 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -52.97 -28.83 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.891 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -37.35 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.02 110.893 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -61.45 -47.34 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.83 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.75 -36.63 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.957 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -49.87 -49.26 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.849 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.95 74.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 61.04 112.509 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.36 -29.21 56.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 54.14 112.471 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.97 -23.04 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 75.02 110.903 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.3 mmt -72.72 -28.07 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.927 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 tp -71.03 -27.25 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.123 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.85 -54.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -49.18 -45.1 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.51 111.161 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.53 111.121 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -49.93 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.24 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.24 -54.12 44.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.932 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -28.61 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.856 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -99.86 -169.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.16 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.32 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -94.02 40.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.35 137.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -35.26 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.892 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.59 -30.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 75.23 111.127 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -51.28 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.4 -27.47 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.33 -30.0 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.913 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 53' ' ' LEU . 80.0 mt -59.72 -46.3 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.938 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -41.45 49.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.915 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -51.41 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.834 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -75.9 -34.06 59.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.77 99.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.761 . . . . 71.33 112.496 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.39 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 74.51 110.857 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.58 -56.41 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.13 110.881 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -52.03 -31.57 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 53.24 111.13 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.31 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.32 -32.63 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -76.09 -47.37 24.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 64.25 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.66 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.3 111.061 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -76.65 -32.23 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -55.47 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.41 -38.64 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.16 -26.9 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.085 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.69 -23.42 39.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.88 -51.74 21.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.74 -35.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.13 111.124 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -71.09 -48.21 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.1 110.909 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -58.37 -29.11 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 62.24 110.937 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 75.42 110.836 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 63.34 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.79 67.55 0.41 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 70.5 112.547 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -156.2 148.37 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 75.44 111.15 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.55 -43.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.137 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.85 -30.13 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.839 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.71 -36.75 81.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.808 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.27 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 65.43 111.077 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -61.14 -32.09 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.884 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -78.13 -33.5 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 54.15 110.911 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.56 57.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 72.52 111.069 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 tp -50.74 -28.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 62.21 111.173 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -30.56 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.855 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.3 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 63.25 111.087 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.17 -33.28 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.117 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -62.64 -23.25 66.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -59.41 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 65.2 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 43.75 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 70.04 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -91.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.34 110.867 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 172.2 104.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.883 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.97 -37.94 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 74.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -27.91 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 72.43 110.87 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -57.4 -28.78 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.873 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -55.73 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 75.42 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -22.5 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.6 -49.89 17.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.99 -28.28 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.893 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -50.29 -31.48 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -43.37 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.874 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.34 -41.77 89.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -30.15 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 65.21 110.911 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.67 -45.03 72.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.837 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.26 89.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 60.13 112.506 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.31 -37.36 59.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 72.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.29 -17.86 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 74.41 110.907 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.0 mmm -70.48 -29.08 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.816 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.5 tt -79.77 -25.22 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.02 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -75.02 -49.98 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.154 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -50.47 -30.66 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.11 67.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.091 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.91 -50.84 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.088 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.15 -53.1 60.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 75.34 110.882 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -61.57 -25.33 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -91.79 -177.55 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.61 140.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.14 111.086 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t 63.36 25.93 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.866 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 139.94 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.41 110.953 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -69.81 -34.47 73.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.22 -31.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 70.32 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -34.9 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.03 110.867 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.16 -34.37 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.898 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -30.27 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.15 -45.21 92.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 75.2 110.923 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.09 -30.18 58.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.899 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -70.57 -27.95 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.894 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.85 -52.45 24.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.15 112.465 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.17 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 65.33 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.08 -60.68 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.23 -30.46 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.085 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.75 -48.65 45.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.952 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.2 -27.18 64.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -55.09 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.77 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.42 111.101 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -22.27 54.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.898 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -55.08 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.889 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.11 -40.94 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.931 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -26.98 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 51.0 111.076 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.01 -23.15 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.874 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -46.45 -51.83 14.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.2 pp -51.24 -38.16 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.21 111.107 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.12 -41.75 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 60.52 110.941 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.23 -30.39 70.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.888 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 72.54 110.907 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.836 0.351 . . . . 64.41 110.897 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.4 178.03 39.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 74.32 112.478 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -133.49 148.63 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.289 . . . . 74.34 111.181 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.47 -36.78 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 73.43 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -52.78 -30.11 31.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.1 -32.71 73.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.82 -53.45 26.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 65.22 111.107 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.71 -41.38 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -57.85 -33.5 68.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.52 -39.18 58.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.081 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.4 mt -51.19 -49.65 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.02 111.097 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -51.75 -38.11 54.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -28.73 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.831 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.66 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 72.24 111.122 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -32.71 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.15 111.142 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -22.92 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' CE2' ' A' ' 23' ' ' TYR . . . -47.92 -47.54 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.113 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 59.83 63.11 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -178.24 -172.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.875 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.56 105.44 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.88 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.86 -62.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 73.25 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -22.16 39.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 74.44 110.859 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' CE2' ' HB1' ' A' ' 17' ' ' ALA . 19.4 m-85 -50.6 -49.71 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.867 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -51.88 -39.52 59.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -43.98 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 70.34 110.841 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.8 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.061 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -58.11 -30.59 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -27.33 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.894 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -45.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -59.24 -44.94 92.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.904 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.31 -36.64 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 75.41 110.947 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.37 -33.76 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 64.5 110.863 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.35 -46.35 34.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.498 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.92 -33.98 61.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 61.24 112.517 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.63 -17.48 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 71.52 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.14 -39.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.858 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.6 tp -79.65 -24.98 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.25 -53.4 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.3 111.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.83 -38.0 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.109 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.42 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 64.31 111.074 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -46.76 35.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.66 -52.48 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.74 -25.3 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.27 -177.31 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.875 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.05 -44.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.31 111.126 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 t -91.56 45.89 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.874 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -126.11 130.74 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -29.94 56.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 m -77.51 -31.94 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 71.02 111.141 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -43.68 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -57.26 -49.59 75.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.28 -29.81 66.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 73.23 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -46.84 87.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.964 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.31 -40.14 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.918 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.27 -49.71 76.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -74.21 -32.41 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.935 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.26 -35.06 76.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 73.2 112.445 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -32.55 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.707 0.289 . . . . 75.31 110.85 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.05 -60.59 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -51.19 -30.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.34 111.12 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.98 -46.2 88.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.929 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.29 -26.92 35.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -67.53 -52.81 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.18 -31.22 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.02 111.118 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.86 -21.84 54.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.857 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.5 -54.26 47.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.837 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.25 -40.88 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.882 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -26.6 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.12 111.132 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.35 -23.79 40.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -46.31 -51.66 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.907 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.3 -39.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.21 111.132 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.98 -47.98 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.929 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.7 -29.44 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.878 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 64.03 110.894 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.88 0.372 . . . . 61.23 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.01 67.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 72.5 112.459 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -156.17 148.49 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 74.33 111.12 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.94 -43.25 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.122 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.89 -30.04 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.72 -35.79 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.97 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.098 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -53.99 -32.05 52.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.885 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -76.17 -30.94 58.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.854 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.31 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.079 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -28.52 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.42 111.104 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.84 -32.64 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -34.97 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.12 110.88 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.83 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 71.11 111.098 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -32.97 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.38 -23.58 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.903 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.38 -40.6 36.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.143 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 61.23 20.71 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -178.5 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.886 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.45 91.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.25 -80.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 72.54 112.47 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -20.33 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 73.25 110.862 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -50.67 -28.32 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.943 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -39.1 64.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 74.52 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.876 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.99 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -34.12 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.12 110.919 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -78.34 -43.52 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.68 -44.28 97.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.859 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.87 -33.18 72.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.947 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -71.56 -42.22 68.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.2 110.818 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.68 94.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 72.54 112.477 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.39 -29.27 68.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 74.32 112.497 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.92 -17.2 53.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 65.12 110.905 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -38.44 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.5 tt -77.05 -25.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.166 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.53 -53.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 63.43 111.141 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -54.69 -30.08 54.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 75.12 111.146 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.92 77.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 64.34 111.12 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.21 -37.18 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.14 -50.46 63.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 71.3 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -25.35 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.927 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.29 -177.3 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -172.24 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -85.98 53.37 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.896 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -141.75 136.26 30.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.41 110.94 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -31.73 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.849 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.2 m -77.11 -31.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.136 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -37.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.932 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -67.43 -50.37 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.898 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.37 -29.32 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.985 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.15 110.909 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -75.77 -47.2 26.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.93 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.81 -50.21 69.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.23 110.846 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -76.0 -20.97 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.904 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.56 -53.03 8.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 71.11 112.51 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -18.31 60.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 75.43 110.928 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -60.82 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.877 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.2 m -51.57 -30.72 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.98 -36.68 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -30.93 46.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.873 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -75.8 -36.4 59.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.919 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.47 -29.88 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.3 111.178 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.4 -22.54 54.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.858 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -56.1 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.16 -30.76 67.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.17 80.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.52 111.095 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.1 -21.47 39.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -44.79 -36.56 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.32 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -41.87 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.928 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -60.33 -27.72 67.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 70.23 110.888 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.842 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 74.34 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.54 87.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 74.54 112.512 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -172.14 160.16 5.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 75.45 111.183 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -26.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.127 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.54 -35.12 78.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.863 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.1 -38.11 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.867 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.14 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.111 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.21 -31.99 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -78.19 -34.96 49.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.17 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -50.62 -28.4 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.13 111.141 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.88 -37.66 79.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.93 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -29.06 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.886 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.94 66.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.41 111.142 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.35 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.135 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.96 -23.55 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.872 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.36 -43.93 61.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 64.21 111.084 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 51.98 54.45 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.88 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -126.93 175.72 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -134.3 38.09 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.888 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.53 -53.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 60.24 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -81.35 -21.39 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 74.24 110.881 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -53.36 -31.93 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.965 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.71 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.895 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -33.79 60.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.83 87.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.14 111.122 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.4 -28.57 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -51.53 -34.9 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 65.03 110.931 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -72.67 -33.76 66.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.848 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -76.95 -38.37 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.83 -40.51 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -71.77 -22.09 61.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.8 60.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 71.14 112.493 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.1 -56.55 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.51 112.502 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.0 -24.82 7.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 74.12 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -28.86 65.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 tt -79.32 -25.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 73.44 111.125 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.73 -43.89 97.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.129 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 t -51.26 -29.76 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.125 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.83 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -28.55 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.109 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.29 -23.82 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.34 -24.13 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -100.89 -175.03 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -174.38 155.03 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 65.3 111.078 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t 63.24 34.4 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.04 110.87 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.45 146.31 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.54 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -78.72 -33.65 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -78.05 -36.74 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.102 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.63 -44.73 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -53.57 -48.55 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.93 -29.72 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.93 -43.8 94.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.64 -43.25 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.15 110.932 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.76 -49.13 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.846 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.91 -36.15 75.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.52 -49.78 50.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 71.45 112.485 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -29.86 57.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.748 0.309 . . . . 74.41 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -65.6 -60.71 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 64.03 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.7 m -51.38 -30.58 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.41 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.1 -52.87 23.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.51 110.909 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.93 -27.84 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -75.82 -50.95 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.93 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.23 60.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 70.21 111.073 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.19 -22.55 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 74.51 110.877 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -53.62 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 72.12 110.867 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.2 -32.74 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.943 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.74 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.132 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.03 -21.76 39.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.53 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.87 -36.34 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.958 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.37 -44.41 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.132 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -41.83 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.68 32.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.871 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 75.01 110.851 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.309 . . . . 51.329999999999998 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.542 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.9 mm -51.51 -41.52 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 65.209999999999994 111.138 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.01 -30.08 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 110.864 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.86 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 53.020000000000003 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.26 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 61.020000000000003 111.09 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.7 m-85 -71.56 -32.11 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.891 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -76.92 -31.59 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 75.310000000000002 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.5 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.099 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 tp -50.95 -28.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.112 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -62.27 -39.73 93.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -28.76 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.868 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.34 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 72.200000000000003 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -36.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 70.239999999999995 111.133 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -63.33 -23.41 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 23' ' ' TYR . . . -60.58 -55.72 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 54.43 111.104 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 71' ' ' ILE . 3.5 mt-10 60.16 55.06 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.530000000000001 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -161.08 175.83 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 72' ' ' LEU . 56.5 mt-10 -114.56 106.78 14.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.83 -139.69 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.319999999999993 112.502 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -58.55 -19.86 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 71.230000000000004 110.835 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 17' ' ' ALA . 44.0 m-85 -48.58 -28.64 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.907 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -66.78 -45.25 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.409999999999997 110.82 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.71 -22.4 53.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.150000000000006 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.97 82.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 50.310000000000002 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.7 mt -57.29 -36.66 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -36.15 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.939 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.48 -38.96 91.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 64.319999999999993 110.902 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -68.06 -42.66 80.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 61' ' ' LEU . 2.5 mt -58.58 -30.18 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 71.219999999999999 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.835 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.52 72.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 73.430000000000007 112.458 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.753 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -55.95 -29.5 55.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 33.210000000000001 112.502 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.47 -17.7 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 70.049999999999997 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 mmt -70.57 -35.81 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.71 ' CG1' HD23 ' A' ' 53' ' ' LEU . 6.9 tt -80.0 -25.75 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.25 111.129 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' GLY . 98.3 t -75.01 -50.33 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.040000000000006 111.159 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -49.95 -37.04 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 52.049999999999997 111.167 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.78 87.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.066 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.85 -41.69 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 72.150000000000006 111.145 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.27 -51.14 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -23.72 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.891 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -105.11 -169.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.06 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 51.140000000000001 111.101 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.94 57.01 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.846 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -133.89 129.77 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 74.540000000000006 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.14 -35.28 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 60.009999999999998 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . 14.9 m -72.87 -31.07 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 64.5 111.079 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -50.55 -34.28 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 71.510000000000005 110.869 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -71.61 -35.45 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.932 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.0 tp -77.9 -34.12 51.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.420000000000002 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.71 HD23 ' CG1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -60.03 -40.6 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.530000000000001 110.876 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD11 ' HB1' ' A' ' 41' ' ' ALA . 4.8 mt -76.33 -51.26 12.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 74.349999999999994 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -56.17 -46.45 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.400000000000006 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -70.71 -29.84 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.587 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.87 -51.02 26.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 64.019999999999996 112.477 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.76 67.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 65.439999999999998 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.24 -61.0 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.16 -30.98 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 111.137 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.753 HD11 ' HA3' ' A' ' 34' ' ' GLY . 4.1 mp -66.94 -41.17 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 110.912 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.55 -27.54 34.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 61.520000000000003 110.91 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -47.89 22.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.23 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 51.299999999999997 111.106 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.71 -28.35 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -53.74 41.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 65.219999999999999 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.22 -35.23 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.59 -34.58 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 33.25 111.089 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.11 -21.99 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.200000000000003 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -44.97 -36.84 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 18' ' ' GLU . 5.8 pt -50.41 -44.2 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD23 ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -73.06 -41.0 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.889 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -30.44 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 53.439999999999998 110.895 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.9 t60 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 71.109999999999999 110.879 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 52.049999999999997 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.94 -36.02 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 111.1 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.0 -30.03 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.89 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.85 -23.64 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.866 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.728 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.39 -56.06 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 63.539999999999999 111.087 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.08 -47.43 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.43 -35.49 75.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.88 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 30' ' ' PHE . 31.0 mm -62.37 -29.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 65.230000000000004 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -60.5 -37.86 82.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 64.329999999999998 110.893 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -29.04 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.239999999999995 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.16 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 63.229999999999997 111.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -37.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.123 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -23.39 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 110.923 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -55.59 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.4 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.855 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.35 -169.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 75.049999999999997 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.32 45.68 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.9 -30.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 70.400000000000006 112.518 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.54 -30.3 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 72.439999999999998 110.868 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.734 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 16.7 p90 -72.75 -31.69 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 55.549999999999997 110.93 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.38 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 72.340000000000003 110.846 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.53 -27.15 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.109999999999999 110.945 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.34 -35.84 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 60.310000000000002 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.3 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 64.340000000000003 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -42.73 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.150000000000006 110.887 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.56 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.209999999999994 110.891 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 24.2 t80 -78.53 -40.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.430000000000007 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.5 -30.23 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.219999999999999 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.48 -29.47 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.817 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.95 23.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 25.329999999999998 112.472 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.22 -29.32 56.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 63.039999999999999 112.49 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.1 -17.22 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 73.319999999999993 110.883 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.694 ' O ' HG22 ' A' ' 39' ' ' THR . 4.5 mmt -70.59 -28.79 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.88 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.711 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.8 tt -79.85 -24.91 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.129999999999995 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' HG3' ' A' ' 42' ' ' GLU . 98.6 t -68.29 -40.59 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.25 111.162 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -50.89 -29.67 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 71.25 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.918 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.32 -37.69 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.310000000000002 111.148 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.72 -46.99 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 111.117 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.706 ' HG3' HG12 ' A' ' 38' ' ' VAL . 47.4 mt-10 -54.83 -54.99 35.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.461 . . . . 61.229999999999997 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -25.74 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 64.420000000000002 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -100.64 -176.49 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.019999999999996 110.843 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.84 -61.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 51.210000000000001 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -92.12 55.63 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.240000000000002 110.851 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.42 146.76 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -75.3 -35.44 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 53' ' ' LEU . 30.0 m -77.15 -31.98 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 111.142 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -35.78 47.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 64.450000000000003 110.906 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.23 -30.35 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 43.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.0 tt -77.73 -36.36 50.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.905 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.209999999999994 110.92 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 41' ' ' ALA . 3.4 mt -75.85 -45.86 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.040000000000006 110.914 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.21 -50.2 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.878 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.4 mmtt -75.24 -21.14 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.140000000000001 110.88 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -71.1 -53.24 10.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 72.25 112.497 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.43 -18.4 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 73.439999999999998 110.882 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.35 -60.73 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.430000000000007 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.9 m -52.77 -30.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.450000000000003 111.087 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' LYS . 57.2 mt -71.03 -46.63 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 65.540000000000006 110.926 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.24 -32.37 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.896 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.7 -36.33 60.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.329999999999998 110.937 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.18 -33.24 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.450000000000003 111.098 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.420000000000002 110.872 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -52.67 59.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.876 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 11' ' ' ILE . 3.0 pp -70.32 -36.72 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 110.933 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.9 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 70.349999999999994 111.09 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.92 -22.84 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 74.010000000000005 110.845 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -47.79 -51.3 23.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 72.200000000000003 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.554 HD11 ' CG ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -49.37 -34.39 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 72.439999999999998 111.159 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.734 HD21 ' CZ ' ' A' ' 23' ' ' TYR . 15.1 mt -71.22 -50.31 34.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.899 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -56.66 -30.59 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.150000000000006 110.825 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.778 0.323 . . . . 72.510000000000005 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.523 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.0 mm -51.57 -42.31 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.0 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.902 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.853 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.3 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.209999999999994 111.124 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.6 m-85 -66.9 -32.12 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.922 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -78.29 -33.72 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.240000000000002 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.22 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 55.149999999999999 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.653 HG12 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -50.53 -28.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.140000000000001 111.163 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.62 -30.77 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.120000000000005 110.879 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -36.88 61.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.230000000000004 110.899 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 64.519999999999996 111.107 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.57 -34.33 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 70.049999999999997 111.147 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -25.1 63.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.120000000000005 110.887 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 53.229999999999997 111.112 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 61.4 61.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 73.010000000000005 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.23 100.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.329999999999998 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -143.31 -64.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 42.25 110.875 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.24 -32.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 74.420000000000002 112.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -19.96 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 64.109999999999999 110.872 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -48.39 -30.56 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 110.938 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -70.28 -45.02 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 64.030000000000001 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.35 -21.62 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 52.409999999999997 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.22 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 51.219999999999999 111.11 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 68' ' ' ALA . 78.8 mt -68.85 -28.91 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.929 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -31.82 28.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.908 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.13 -37.28 75.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.913 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -79.01 -33.66 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.0 mm? -56.48 -33.81 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 73.319999999999993 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.33 -18.73 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 110.898 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.01 93.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 40.240000000000002 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -81.39 -31.1 34.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 63.25 112.52 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.53 -17.52 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.343 . . . . 63.219999999999999 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -76.9 -35.53 57.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 73.430000000000007 110.865 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.517 HD11 ' HG ' ' A' ' 53' ' ' LEU . 9.2 tp -79.68 -26.33 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.010000000000005 111.137 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 34' ' ' GLY . 69.9 t -57.61 -45.92 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 64.120000000000005 111.108 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 12.9 t -51.04 -31.03 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.173 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -38.2 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 111.098 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.88 -55.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 38' ' ' VAL . 6.0 mm-40 -51.93 -45.91 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 63.520000000000003 110.897 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -68.79 -23.86 64.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -94.89 -178.35 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.319999999999993 110.915 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.75 -53.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.075 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -84.49 54.91 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 110.826 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp60 -132.85 131.96 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.109999999999999 110.892 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.340000000000003 110.937 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.8 m -77.34 -31.97 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.130000000000003 111.124 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.537 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.4 -46.04 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 52.310000000000002 110.9 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.41 -48.73 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 tp -73.83 -29.67 62.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 62.43 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 37' ' ' ILE . 1.2 mp -58.84 -42.7 89.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.935 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 41' ' ' ALA . 6.7 mt -76.34 -51.39 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.927 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -55.67 -35.14 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.219999999999999 110.86 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 5.7 mmtt -71.44 -31.12 66.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.239999999999995 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.699 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.25 -44.74 58.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 44.43 112.508 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -20.88 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 62.140000000000001 110.929 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.21 -60.57 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 60.32 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 27.4 m -50.38 -30.97 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.130000000000003 111.113 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.5 mp -70.92 -46.6 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 110.941 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.0 -32.77 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.510000000000005 110.849 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -75.76 -48.6 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 54.420000000000002 110.91 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.3 -31.02 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 51.130000000000003 111.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.13 -22.74 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.140000000000001 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -52.25 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.299999999999997 110.871 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.653 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.25 -32.48 70.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.942 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.18 -34.23 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 111.124 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.06 -21.77 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 60.530000000000001 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -44.82 -36.65 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.439999999999998 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.44 -44.36 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.450000000000003 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -73.02 -41.22 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 53.039999999999999 110.929 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -32.36 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.842 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 52.130000000000003 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.68 -37.34 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 63.210000000000001 111.08 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -29.99 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.894 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.53 -38.12 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 53.509999999999998 110.832 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.31 90.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.577 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.3 m-85 -65.33 -31.99 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -76.93 -31.69 56.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 72.510000000000005 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.34 57.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 44.420000000000002 111.092 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG12 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.63 -28.61 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 111.169 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.04 -37.57 54.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 72.150000000000006 110.911 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -36.85 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -50.69 68.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.240000000000002 111.108 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 67' ' ' LEU . 4.0 tt -67.51 -35.05 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 65.129999999999995 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -23.45 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 65.5 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.19 -56.91 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 64.439999999999998 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 48.27 37.67 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.866 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.21 -74.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 64.030000000000001 110.846 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 179.55 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.87 5.19 4.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 75.340000000000003 112.5 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.89 -44.32 91.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 64.230000000000004 110.865 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 71' ' ' ILE . 6.8 p90 -50.91 -30.24 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.966 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -49.86 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.230000000000004 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.37 -23.05 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.66 52.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 54.25 111.122 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.35 -28.69 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 62.229999999999997 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -31.03 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.530000000000001 110.925 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -71.89 -37.47 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.040000000000006 110.834 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD2' HD12 ' A' ' 11' ' ' ILE . 8.1 m-85 -79.28 -32.77 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -34.91 66.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 63.130000000000003 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.52 -18.99 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.329999999999998 110.869 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.66 -42.58 87.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 53.25 112.539 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -67.39 -39.7 91.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.219999999999999 112.445 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -17.7 56.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 73.209999999999994 110.915 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.6 OUTLIER -65.91 -48.95 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 75.010000000000005 110.884 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.9 tp -80.1 -26.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.430000000000007 111.137 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 34' ' ' GLY . 94.6 t -61.73 -45.72 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 33.32 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 10.8 t -51.45 -30.0 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.340000000000003 111.147 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.68 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 53.420000000000002 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -67.47 -49.18 64.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.210000000000001 111.08 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.9 mm-40 -54.24 -52.84 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 70.430000000000007 110.87 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.75 66.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -86.48 -179.53 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -164.96 -54.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 62.409999999999997 111.119 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -90.58 47.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.898 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' HG3' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -122.02 130.01 52.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 61.340000000000003 110.91 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -28.96 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.91 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.6 m -77.55 -31.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.120000000000005 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.27 -45.15 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.209999999999994 110.89 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -54.23 -48.92 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 72.319999999999993 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 52' ' ' LEU . 4.0 tt -72.3 -30.19 64.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 71.409999999999997 110.904 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -58.92 -46.23 88.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 65.140000000000001 110.902 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.3 mt -76.58 -43.03 40.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.030000000000001 110.877 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -55.12 -44.37 74.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 53.539999999999999 110.862 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.14 -31.38 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.319999999999993 110.893 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.54 -52.53 15.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.799 -0.715 . . . . 73.439999999999998 112.491 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.95 -21.12 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 61.030000000000001 110.88 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.63 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.6 m -50.72 -30.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.040000000000006 111.122 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 58' ' ' LYS . 15.7 mt -73.96 -44.02 56.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.9 -27.43 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 62.439999999999998 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.68 -47.87 24.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.105 -0.498 . . . . 74.450000000000003 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -55.38 -31.22 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 51.240000000000002 111.088 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.36 -22.58 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 110.886 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.95 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.409999999999997 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.694 HD11 HG12 ' A' ' 11' ' ' ILE . 2.8 pp -70.13 -33.71 72.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 110.908 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.439999999999998 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.19 -22.0 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -45.06 -37.26 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 65.530000000000001 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 23' ' ' TYR . 5.7 pt -50.56 -44.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 111.141 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -39.56 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.010000000000005 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.31 -29.01 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.219999999999999 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.852 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.724 0.297 . . . . 74.430000000000007 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.476 HG22 ' CE2' ' A' ' 8' ' ' PHE . 50.2 mm -51.54 -41.41 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.239999999999995 111.132 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -30.0 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.889 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -33.26 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 110.896 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.07 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.5 m-85 -66.48 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -78.07 -33.09 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.129999999999995 110.815 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.33 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.040000000000006 111.107 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 30' ' ' PHE . 3.1 tp -50.55 -28.55 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.53 -45.34 73.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.88 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -29.24 70.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.879 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -67.7 -49.83 60.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 64.5 111.061 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -34.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 72.099999999999994 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.95 -25.53 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.420000000000002 110.94 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.11 -30.01 24.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 111.059 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 52.41 48.31 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.340000000000003 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.427 ' OD1' HD23 ' A' ' 72' ' ' LEU . 11.5 t30 63.21 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.430000000000007 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.99 -41.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.17 -19.6 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 33.32 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.96 -25.84 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 62.109999999999999 110.903 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HD21 ' A' ' 72' ' ' LEU . 42.8 p90 -53.28 -29.0 30.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 62.299999999999997 110.91 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -46.51 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.150000000000006 110.898 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.2 -26.05 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -63.25 -37.55 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 54.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' HG2' ' A' ' 65' ' ' GLU . 47.2 mt -72.22 -28.76 63.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 72.409999999999997 110.919 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -52.5 -40.64 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 60.329999999999998 110.878 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -27.5 65.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 64.549999999999997 110.862 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CE2' HD13 ' A' ' 11' ' ' ILE . 2.5 t80 -67.72 -46.5 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 61' ' ' LEU . 13.9 mt -63.46 -38.37 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -31.2 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.83 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.49 -27.0 55.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 73.439999999999998 112.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.23 -46.84 14.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 51.340000000000003 112.468 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.42 -17.86 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 73.319999999999993 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.69 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -65.05 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.877 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.753 HG22 ' O ' ' A' ' 34' ' ' GLY . 10.2 tt -79.31 -24.88 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 72.430000000000007 111.094 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG12 ' HG3' ' A' ' 42' ' ' GLU . 97.4 t -61.97 -43.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.142 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 36' ' ' MET . 9.1 t -51.32 -29.84 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.230000000000004 111.154 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.58 61.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.85 -45.09 45.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 111.082 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -58.22 -55.63 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 64.409999999999997 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -23.52 65.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 75.230000000000004 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -91.24 -178.64 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.87 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.57 -45.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.126 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -91.6 45.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 53.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.1 tp60 -124.75 133.04 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.885 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -78.03 -29.8 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.51 -32.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.129 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.52 -45.79 6.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.897 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -52.75 -48.63 66.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.95 -29.52 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.3 mp -58.34 -41.85 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.936 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 41' ' ' ALA . 9.2 mt -76.06 -47.09 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 64.329999999999998 110.935 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -57.26 -50.05 74.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 62.149999999999999 110.87 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.5 mtmp? -66.73 -21.54 66.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.862 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.716 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -66.13 -52.62 35.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 55.130000000000003 112.488 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -19.34 58.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.292 . . . . 70.140000000000001 110.85 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.06 -60.5 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.140000000000001 110.876 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' LYS . 26.9 m -50.86 -31.08 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.07 -53.9 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 64.319999999999993 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.96 -32.39 72.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -45.96 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 74.019999999999996 110.932 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.97 -30.62 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 61.549999999999997 111.1 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.639 ' HG2' HD13 ' A' ' 27' ' ' LEU . 9.0 mt-10 -75.56 -22.49 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.519999999999996 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -53.4 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.831 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.37 -36.45 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.92 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.69 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 111.105 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.8 mm-40 -80.47 -23.29 40.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.120000000000005 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -47.77 -51.73 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 70.099999999999994 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -35.27 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 111.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' CE1' ' A' ' 23' ' ' TYR . 16.5 mt -68.08 -49.45 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 64.510000000000005 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.86 -30.82 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.922 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.230000000000004 110.855 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.759 0.314 . . . . 73.409999999999997 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.41 -39.9 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 111.125 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.81 -30.08 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 61.210000000000001 110.866 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -64.11 -33.65 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.049999999999997 110.807 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.18 79.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 52.420000000000002 111.121 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.573 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.2 m-85 -62.53 -32.25 73.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.918 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -78.14 -33.48 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 63.030000000000001 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.86 -26.14 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.430000000000007 111.06 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.3 tp -50.73 -28.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.010000000000005 111.144 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.71 -30.68 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.530000000000001 110.915 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -34.9 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.891 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.79 -51.62 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 30.329999999999998 111.103 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -73.77 -33.25 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.099999999999994 111.109 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -63.79 -22.24 66.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 73.040000000000006 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.68 -55.84 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 35.25 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.98 71.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.85 -168.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 75.430000000000007 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -131.67 67.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.872 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.53 -31.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 30.309999999999999 112.467 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -80.83 -25.07 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 74.349999999999994 110.85 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 71' ' ' ILE . 1.1 m-85 -51.74 -29.23 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -36.88 64.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 62.200000000000003 110.883 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.52 -25.5 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.040000000000006 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -76.14 -49.79 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 111.149 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 68' ' ' ALA . 12.8 mt -57.33 -28.59 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.897 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -30.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.340000000000003 110.903 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -42.07 89.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.826 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CD1' HD13 ' A' ' 11' ' ' ILE . 34.1 t80 -67.81 -41.63 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.549999999999997 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.55 -30.08 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.349999999999994 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -31.46 67.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 110.842 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.16 -40.84 33.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 74.209999999999994 112.524 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.16 -29.35 55.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.210000000000001 112.477 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.07 -17.4 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 72.409999999999997 110.847 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 mmt -68.7 -42.08 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 tt -79.83 -25.9 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 111.147 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 34' ' ' GLY . 87.4 t -73.99 -53.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 52.25 111.149 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -51.48 -30.01 18.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 111.119 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.12 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.510000000000005 111.073 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.74 -44.78 48.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 50.43 111.073 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.94 -55.81 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.439999999999998 110.897 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -25.34 64.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 64.230000000000004 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.79 -177.64 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.876 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.64 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 55.310000000000002 111.077 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.0 m -93.06 54.48 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 33.310000000000002 110.85 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.7 tp-100 -134.41 135.8 42.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.040000000000006 110.935 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.09 -30.81 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.509999999999998 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.0 m -77.72 -32.3 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 111.088 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -43.65 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.329999999999998 110.885 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.16 -49.2 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 55.119999999999997 110.878 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.229999999999997 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -57.8 -40.97 81.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.922 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.62 -51.29 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.98 -38.83 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.549999999999997 110.833 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 60' ' ' VAL . 16.0 mmtp -73.36 -33.05 64.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.430000000000007 110.891 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.527 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.41 -48.88 34.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.06 66.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.733 0.301 . . . . 74.140000000000001 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.02 -60.72 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.4 m -51.09 -30.61 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 54.420000000000002 111.16 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD11 ' HA3' ' A' ' 34' ' ' GLY . 3.6 mp -69.46 -52.82 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.200000000000003 110.896 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.4 -30.87 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 62.240000000000002 110.916 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -72.32 -51.01 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.61 -30.86 61.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.340000000000003 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.6 -21.78 55.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 74.150000000000006 110.838 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -58.6 -55.35 36.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.875 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.15 -41.3 74.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.540000000000006 110.882 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -62.62 -26.75 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 60.539999999999999 111.109 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mm-40 -79.75 -22.97 42.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 62.340000000000003 110.893 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -46.19 -51.94 13.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 73.209999999999994 110.897 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.748 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -50.96 -38.67 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 71.030000000000001 111.113 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.7 mt -69.96 -49.96 46.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.917 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.9 -29.49 65.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 110.86 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 72.230000000000004 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.55 -38.61 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 64.420000000000002 111.155 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.14 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 54.439999999999998 110.881 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.39 -32.67 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.049999999999997 110.849 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.11 -53.6 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 44.539999999999999 111.13 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -51.91 -32.48 32.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -64.69 -47.21 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 110.868 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.19 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 55.119999999999997 111.132 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.705 HD11 ' CG ' ' A' ' 30' ' ' PHE . 42.7 mm -51.61 -43.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 111.158 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.75 -40.04 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 63.100000000000001 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.07 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.209999999999994 110.84 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.89 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.229999999999997 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -36.68 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.420000000000002 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -63.27 -23.41 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.219999999999999 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -51.96 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 56.44 57.11 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 11.5 t30 -136.88 177.22 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 45.100000000000001 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -129.15 52.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 64.329999999999998 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.65 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.753 . . . . 43.149999999999999 112.469 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.27 -21.38 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 75.5 110.899 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -53.38 -31.45 44.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 110.936 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.9 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.439999999999998 110.858 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -35.2 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.883 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 71.200000000000003 111.069 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 68' ' ' ALA . 9.4 mt -58.39 -29.38 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -36.96 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.230000000000004 110.902 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -62.87 -34.03 76.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.530000000000001 110.877 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 13.8 t80 -76.64 -39.23 52.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.828 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.47 -30.24 64.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 63.509999999999998 110.944 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -26.85 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.099999999999994 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.11 -33.66 35.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.478 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.602 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.1 -29.38 55.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 51.140000000000001 112.53 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.56 -17.25 54.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.209999999999994 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' THR . 9.7 mtt -73.6 -29.03 62.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.859 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.693 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.6 tt -80.04 -25.07 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 111.11 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 42' ' ' GLU . 62.8 t -68.29 -41.74 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 36' ' ' MET . 6.2 t -50.85 -29.51 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.239999999999995 111.108 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.909 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.12 -38.0 61.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 73.230000000000004 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.65 -49.63 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.549999999999997 111.156 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 38' ' ' VAL . 40.2 mt-10 -53.54 -54.71 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.884 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -25.23 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 72.200000000000003 110.895 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -100.88 -175.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.48 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 63.130000000000003 111.094 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.35 54.01 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 110.889 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG2' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -122.43 140.48 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 75.340000000000003 110.932 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -70.35 -35.78 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.519999999999996 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 53' ' ' LEU . 29.4 m -75.33 -32.14 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 71.120000000000005 111.121 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.73 -34.92 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 110.877 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.13 -31.73 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.230000000000004 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.69 -34.1 52.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -59.47 -45.57 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 110.9 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.546 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.7 mt -71.04 -50.44 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 54.420000000000002 110.934 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -53.54 -50.38 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.846 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 60' ' ' VAL . 10.6 mtpp -75.24 -20.96 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 75.409999999999997 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.71 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -72.01 -53.59 9.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 73.430000000000007 112.468 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -18.57 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 70.019999999999996 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -76.71 -60.41 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 64.310000000000002 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 56' ' ' LYS . 34.5 m -50.92 -30.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.349999999999994 111.124 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.43 -53.94 24.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.400000000000006 110.875 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.64 -32.2 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 64.420000000000002 110.933 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -32.65 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 75.239999999999995 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.97 -29.23 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 62.340000000000003 111.113 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.63 -22.39 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -50.55 61.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.28 -31.99 69.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.340000000000003 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -64.69 -34.47 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.219999999999999 111.071 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.97 -21.74 40.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 42.439999999999998 110.862 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -44.9 -36.37 3.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 63.109999999999999 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.7 pt -50.6 -44.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.18 -41.31 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 64.450000000000003 110.87 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -30.62 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.329999999999998 110.893 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.885 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.752 0.31 . . . . 63.219999999999999 111.166 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.526 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.7 mm -51.67 -43.6 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.106 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -52.08 -30.02 24.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 60.340000000000003 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.52 -37.34 85.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 72.010000000000005 110.864 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.34 89.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -65.77 -32.11 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.109999999999999 110.889 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.09 -33.46 50.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.33 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 31.210000000000001 111.119 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 67' ' ' LEU . 1.4 tt -50.59 -28.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 54.229999999999997 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.5 -33.93 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 74.129999999999995 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -34.04 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 110.885 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.82 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 43.229999999999997 111.083 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' LEU . 2.5 tt -66.14 -33.7 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.519999999999996 111.17 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.97 -23.8 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 53.149999999999999 110.898 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.58 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 111.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 63.25 62.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.882 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.42 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.400000000000006 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.99 -46.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.549999999999997 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.63 -28.79 4.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 50.310000000000002 112.499 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -21.88 41.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 65.329999999999998 110.879 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 71' ' ' ILE . 7.6 p90 -51.64 -28.69 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.908 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -37.38 65.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.239999999999995 110.921 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -23.32 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.39 46.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 111.104 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 30' ' ' PHE . 26.9 mt -56.71 -29.14 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.010000000000005 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -31.09 64.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.9 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -34.04 61.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.129999999999995 110.827 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HD2' HD23 ' A' ' 27' ' ' LEU . 12.2 m-85 -79.13 -36.32 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.109999999999999 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.95 -35.76 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 53.43 110.909 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.47 -18.9 62.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 53.039999999999999 110.87 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -38.61 93.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.754 . . . . 55.140000000000001 112.45 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -80.04 -29.24 47.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 70.230000000000004 112.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.35 -17.42 64.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 71.239999999999995 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 mmt -67.0 -45.37 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 61.210000000000001 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.7 tt -79.27 -25.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 65.209999999999994 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 34' ' ' GLY . 88.6 t -64.65 -52.99 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.136 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -53.14 -30.07 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.6 75.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 51.329999999999998 111.123 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.71 -38.06 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.17 -47.77 72.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 71.120000000000005 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -67.78 -25.43 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 110.915 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.72 -176.45 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.907 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.73 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 61.520000000000003 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -91.13 59.86 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 63.210000000000001 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.534 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.4 tp-100 -145.06 137.1 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 54.350000000000001 110.921 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -77.72 -31.85 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.150000000000006 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG22 ' HG3' ' A' ' 47' ' ' GLN . 26.3 m -77.3 -32.37 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 111.099 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.603 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.83 -38.18 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.891 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.47 -48.14 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -69.1 -31.47 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.150000000000006 110.93 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.56 -40.26 74.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 50.200000000000003 110.919 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.2 mt -76.28 -50.48 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.899 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -51.52 -44.02 62.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.530000000000001 110.883 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HD2' HD11 ' A' ' 52' ' ' LEU . 2.7 mttt -74.19 -28.84 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.010000000000005 110.935 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.28 14.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 75.239999999999995 112.47 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -22.52 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 74.5 110.922 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.57 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.239999999999995 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.06 -30.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.200000000000003 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.31 -42.24 88.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.239999999999995 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.6 -27.22 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -71.75 -51.04 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 110.924 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -30.68 60.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 54.420000000000002 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.31 -23.6 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 51.520000000000003 110.902 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -50.76 61.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 44.229999999999997 110.886 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.23 -32.89 70.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.884 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.1 -34.8 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 111.106 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.09 -21.58 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.917 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -44.89 -36.59 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.502 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.9 pt -50.36 -44.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 72.230000000000004 111.09 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -41.82 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.020000000000003 110.939 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -30.2 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 63.509999999999998 110.845 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 64.349999999999994 110.833 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 45.229999999999997 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.71 -32.14 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.340000000000003 111.105 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.33 -29.88 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.876 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.08 -23.46 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 64.349999999999994 110.925 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.727 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.28 -54.15 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -51.64 -47.85 63.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.88 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.12 -35.74 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 70.049999999999997 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.22 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 30' ' ' PHE . 33.4 mm -66.96 -32.98 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 70.409999999999997 111.142 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -58.44 -35.28 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 70.120000000000005 110.857 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -40.84 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -52.57 -50.82 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.239999999999995 111.058 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -35.75 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 111.175 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -25.39 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 53.109999999999999 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.7 -46.57 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 44.109999999999999 111.083 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.7 mt-10 63.07 61.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 62.229999999999997 110.851 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 63.23 105.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 110.887 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -156.19 -44.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.89 -17.89 4.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.120000000000005 112.51 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.03 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 63.420000000000002 110.916 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.763 ' CE2' HD21 ' A' ' 72' ' ' LEU . 50.5 p90 -51.83 -39.62 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 70.340000000000003 110.931 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -54.25 32.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 74.150000000000006 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.3 -26.24 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 71.420000000000002 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -58.1 -49.53 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.9 mt -61.65 -38.43 87.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 71.049999999999997 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -51.74 -48.57 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.933 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -58.21 -29.36 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 110.866 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 62.0 t80 -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.901 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD23 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -57.72 -29.89 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.915 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.51 -20.51 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 51.450000000000003 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.42 -49.13 33.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 52.119999999999997 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.01 -34.15 61.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 72.219999999999999 112.461 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.97 -17.55 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 71.450000000000003 110.841 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . 3.7 mmt -63.4 -50.44 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 53' ' ' LEU . 13.7 tt -80.35 -26.14 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.439999999999998 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.5 t -64.04 -42.51 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.349999999999994 111.176 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 36' ' ' MET . 6.9 t -51.27 -29.71 15.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 111.179 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.09 -51.01 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.409999999999997 111.131 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -61.91 -32.57 72.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.219999999999999 111.063 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 38' ' ' VAL . 4.8 mt-10 -73.21 -35.27 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.16 12.81 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.96 -179.62 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 73.400000000000006 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.08 142.46 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 54.530000000000001 111.068 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t 52.04 36.27 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 72.150000000000006 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' HG22 ' A' ' 49' ' ' VAL . 16.5 tt0 -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.908 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -84.0 -29.62 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG22 ' HG2' ' A' ' 47' ' ' GLN . 9.0 m -78.92 -32.19 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 111.111 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.573 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -45.22 -37.54 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.099999999999994 110.875 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.75 -48.24 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.886 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 52' ' ' LEU . 6.1 tt -73.01 -30.36 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.37 -46.93 88.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.030000000000001 110.879 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 41' ' ' ALA . 8.1 mt -76.69 -31.63 57.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.933 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -67.2 -50.22 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 71.129999999999995 110.817 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.2 mttm -68.5 -37.99 80.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.349999999999994 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -64.84 -36.95 93.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 61.340000000000003 112.462 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -31.59 58.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 75.329999999999998 110.889 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -70.82 -59.01 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 61' ' ' LEU . 21.8 m -50.25 -31.54 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 111.144 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.0 mp -74.74 -38.31 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.209999999999994 110.946 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.33 -27.33 56.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 62.020000000000003 110.859 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -75.66 -45.86 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.200000000000003 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.56 59.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.530000000000001 111.08 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.72 -24.72 56.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 52.539999999999999 110.857 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -53.36 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.827 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD21 HG21 ' A' ' 11' ' ' ILE . 3.3 pp -70.38 -37.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 71.209999999999994 110.886 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -63.22 -26.83 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 60.100000000000001 111.102 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mm-40 -80.57 -23.3 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.91 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -47.69 -51.85 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.52 -35.23 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 72.420000000000002 111.106 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 ' CE2' ' A' ' 23' ' ' TYR . 17.2 mt -68.79 -50.83 47.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.140000000000001 110.916 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.53 -27.38 67.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 110.935 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.099999999999994 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 71.340000000000003 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.505 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.4 mm -51.66 -40.35 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 51.329999999999998 111.115 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.71 -30.02 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.899 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -32.81 74.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.349999999999994 110.865 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.29 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.439999999999998 111.123 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.585 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -70.94 -32.1 68.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -78.12 -33.3 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 61.399999999999999 110.887 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.29 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -50.62 -28.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.430000000000007 111.113 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.3 -33.69 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -28.93 59.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 110.893 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.87 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -62.72 -37.08 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.115 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -63.16 -23.53 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 35.039999999999999 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.32 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.329999999999998 111.121 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 52.55 47.75 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD12 ' A' ' 71' ' ' ILE . 6.5 t-20 -130.61 169.64 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 54.310000000000002 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.6 56.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.22 -61.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 55.210000000000001 112.473 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -21.8 40.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 73.230000000000004 110.87 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.53 -28.39 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 73.010000000000005 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -73.55 -37.96 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.69 -22.67 56.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.69 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 68' ' ' ALA . 32.2 mt -72.7 -28.68 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 63.240000000000002 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -51.57 -30.24 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.349999999999994 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -52.09 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.200000000000003 110.914 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HD2' HD23 ' A' ' 27' ' ' LEU . 8.6 m-85 -62.98 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.030000000000001 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 61' ' ' LEU . 1.1 mt -57.14 -33.96 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 65.510000000000005 110.962 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.21 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 62.310000000000002 110.858 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.57 90.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.530000000000001 112.496 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.8 -54.12 6.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 73.109999999999999 112.498 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -57.77 -23.04 50.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 40.219999999999999 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.627 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.66 -34.48 64.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.430000000000007 110.857 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CD1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.28 -26.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 65.450000000000003 111.123 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.88 -31.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 111.124 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 36' ' ' MET . 13.4 t -60.7 -31.43 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 63.020000000000003 111.156 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -49.27 77.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . . . -69.78 -29.07 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 111.086 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.72 -18.34 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 110.855 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -99.74 -18.71 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.42 -176.6 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 63.420000000000002 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.75 155.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 60.539999999999999 111.065 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.1 26.46 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 61.210000000000001 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -108.79 136.03 49.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 63.549999999999997 110.894 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -71.38 -32.66 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.150000000000006 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 47' ' ' GLN . 18.5 m -77.53 -30.82 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.123 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.49 -52.29 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.92 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -57.82 -27.44 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.349999999999994 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.7 tp -78.28 -35.47 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 65.120000000000005 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 37' ' ' ILE . 2.4 mm? -55.28 -48.55 73.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.049999999999997 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.34 -51.36 20.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.92 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -51.62 -43.69 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 60.310000000000002 110.858 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -74.26 -31.05 62.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 65.400000000000006 110.883 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.61 28.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 41.399999999999999 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -20.23 65.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 74.239999999999995 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -60.26 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 73.510000000000005 110.899 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.9 m -50.44 -30.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.08 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 31' ' ' LEU . 3.0 mp -67.62 -54.02 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.913 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.21 -30.02 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 110.888 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m0 -74.57 -46.05 41.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.299999999999997 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.33 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 111.109 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.08 -22.65 55.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 74.150000000000006 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -54.28 17.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.409999999999997 110.836 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.9 pp -70.18 -32.28 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.933 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.708 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.31 -35.01 79.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.116 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.98 -21.68 40.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.409999999999997 110.885 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -45.09 -36.44 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 110.909 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.5 pt -50.74 -44.41 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.319999999999993 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.95 -40.79 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.41 -30.09 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 62.210000000000001 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.510000000000005 110.887 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.737 0.303 . . . . 61.039999999999999 111.125 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.69 -40.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 53.439999999999998 111.131 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -29.97 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.88 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.24 -31.37 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.81 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -50.86 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 70.150000000000006 111.089 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.9 m-85 -65.72 -32.12 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.239999999999995 110.881 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -78.38 -34.76 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 110.846 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.95 -26.5 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 42.450000000000003 111.066 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CD1' ' A' ' 30' ' ' PHE . 6.5 tp -50.77 -28.38 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 70.150000000000006 111.13 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.31 -36.6 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 55.450000000000003 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -28.96 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.329999999999998 110.847 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -50.8 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -70.04 -33.69 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.129999999999995 111.176 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -60.81 -23.83 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.852 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.64 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 45.200000000000003 111.051 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 58.03 36.59 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 110.87 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 71' ' ' ILE . 17.0 t-20 -134.65 164.28 27.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.299999999999997 110.926 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -114.16 48.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.73 -66.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 74.439999999999998 112.481 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -81.81 -19.8 40.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 74.549999999999997 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 71' ' ' ILE . 1.6 p90 -49.22 -28.84 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 62.140000000000001 110.905 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -43.37 62.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.420000000000002 110.893 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.54 -23.37 53.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 64.200000000000003 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -33.43 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 72.120000000000005 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 68' ' ' ALA . 11.6 mt -72.14 -28.61 63.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 110.96 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -30.93 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 110.903 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -67.51 -40.92 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.865 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CD1' HD13 ' A' ' 11' ' ' ILE . 36.4 t80 -66.93 -42.49 85.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.862 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.13 -32.38 71.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 51.119999999999997 110.9 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.48 -37.41 53.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 74.019999999999996 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.689 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -57.43 -29.6 60.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.802 -0.714 . . . . 54.030000000000001 112.471 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.97 -17.43 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 71.040000000000006 110.93 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 mmt -68.55 -44.17 75.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 75.430000000000007 110.871 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 tt -80.03 -26.12 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 70.230000000000004 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 34' ' ' GLY . 89.1 t -73.63 -53.1 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.340000000000003 111.138 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -51.29 -29.96 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 111.113 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.83 64.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 41.119999999999997 111.093 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.57 -43.13 57.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 111.108 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.27 -55.19 36.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 71.140000000000001 110.906 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -25.29 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.329999999999998 110.934 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -90.85 -178.09 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.66 -38.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 111.107 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -96.66 54.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.400000000000006 110.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.576 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.8 tp-100 -136.17 136.86 40.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 73.099999999999994 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -79.01 -31.21 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.010000000000005 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.3 m -77.57 -32.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 63.119999999999997 111.125 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.38 -42.67 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.843 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -57.09 -49.52 75.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.520000000000003 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.71 -29.66 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 54.340000000000003 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -57.42 -42.35 82.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.229999999999997 110.922 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.55 -45.06 32.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 62.130000000000003 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -57.48 -48.41 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.888 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -72.17 -38.12 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 72.120000000000005 110.901 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.583 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -65.48 -35.93 91.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 74.239999999999995 112.523 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.01 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 71.129999999999995 110.88 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.95 -55.07 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.86 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -51.26 -31.37 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.519999999999996 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HA3' ' A' ' 34' ' ' GLY . 2.7 mp -67.75 -53.57 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 75.349999999999994 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.68 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.200000000000003 110.86 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -73.99 -40.53 62.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 65.230000000000004 110.958 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -54.76 -33.51 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 61.420000000000002 111.112 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.72 -22.95 56.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.310000000000002 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -52.66 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 110.822 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.1 pp -70.33 -32.54 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -63.93 -35.51 80.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 111.081 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.8 -21.45 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 60.32 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -44.85 -36.66 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.906 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 23' ' ' TYR . 6.3 pt -50.25 -44.25 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 61.409999999999997 111.154 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.11 -42.26 63.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.200000000000003 110.917 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.65 -31.58 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.239999999999995 110.868 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.030000000000001 110.845 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.792 0.329 . . . . 72.329999999999998 111.164 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.49 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 63.130000000000003 111.107 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.1 -42.05 97.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 43.149999999999999 110.823 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -26.49 49.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.420000000000002 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.44 -52.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 55.409999999999997 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -51.09 -32.48 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 71.400000000000006 110.88 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -68.01 -42.07 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.873 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.63 67.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 111.084 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 30' ' ' PHE . 41.4 mm -51.1 -47.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 75.129999999999995 111.137 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.89 -34.85 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 71.120000000000005 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -36.08 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.84 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . . . -57.72 -50.99 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.299999999999997 111.072 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -33.03 60.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 111.107 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.95 -23.77 34.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.240000000000002 110.957 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -46.67 53.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 73.409999999999997 111.097 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 59.94 20.68 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -174.16 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.530000000000001 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.28 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.878 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.76 -89.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 63.450000000000003 112.529 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -80.49 -20.03 44.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 53.219999999999999 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -48.45 -28.8 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 110.918 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -46.98 64.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.894 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.77 -25.99 56.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 71.140000000000001 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.594 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -67.02 -49.89 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 62.450000000000003 111.09 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.91 -35.52 80.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -41.87 75.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 63.310000000000002 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -25.9 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 64.439999999999998 110.853 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 1.3 t80 -69.48 -46.4 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.914 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.14 -40.66 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.140000000000001 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.58 -30.65 66.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.439999999999998 110.833 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.48 -35.83 28.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 73.329999999999998 112.466 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -57.91 -43.84 94.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.7 -0.762 . . . . 74.019999999999996 112.526 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.46 -27.8 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 74.540000000000006 110.891 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.693 ' O ' HG22 ' A' ' 39' ' ' THR . 72.1 mmm -55.91 -28.65 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 42.539999999999999 110.887 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.706 HG13 HD23 ' A' ' 53' ' ' LEU . 12.6 tt -80.08 -24.83 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.230000000000004 111.139 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.733 HG12 ' HG3' ' A' ' 42' ' ' GLU . 59.5 t -69.47 -40.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.114 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 36' ' ' MET . 6.0 t -50.74 -29.89 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 111.131 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.74 -39.06 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.093 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.8 -35.9 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.039999999999999 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.733 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -21.39 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 62.200000000000003 110.935 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -100.18 -176.18 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.12 137.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 53.229999999999997 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t 60.37 26.68 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 70.140000000000001 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -99.14 146.46 26.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 70.430000000000007 110.909 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -68.9 -37.33 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.530000000000001 110.879 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 53' ' ' LEU . 32.4 m -77.3 -32.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.519999999999996 111.135 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -35.7 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.510000000000005 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -75.23 -31.21 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.87 -32.66 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 64.129999999999995 110.922 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -62.9 -47.22 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 64.219999999999999 110.889 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' ALA . 13.5 mt -76.05 -43.25 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 61.439999999999998 110.916 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -60.74 -47.93 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 32.4 mmtp -74.33 -34.82 63.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -67.52 -35.23 86.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 34.409999999999997 112.51 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -32.03 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 74.540000000000006 110.892 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -70.05 -55.29 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.7 m -51.32 -31.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.420000000000002 111.134 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 30' ' ' PHE . 36.4 mt -74.51 -35.8 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 72.219999999999999 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -79.25 -29.16 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -75.63 -46.91 28.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.93 -31.75 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.219999999999999 111.087 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.05 -23.91 55.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -54.2 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.540000000000006 110.852 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 41.539999999999999 110.927 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.7 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 111.063 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.17 -21.45 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 65.519999999999996 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -44.8 -36.62 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 62.240000000000002 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.5 -44.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 73.450000000000003 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.71 63.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.922 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.85 -29.98 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 53.130000000000003 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 62.43 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.754 0.312 . . . . 61.200000000000003 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.1 mm -51.54 -42.74 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.200000000000003 111.148 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.37 -30.09 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 71.219999999999999 110.853 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.48 -35.92 82.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.16 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.219999999999999 111.095 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -73.22 -32.08 64.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 110.871 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -76.47 -31.87 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.329999999999998 110.855 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.76 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 62.549999999999997 111.134 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 67' ' ' LEU . 1.7 tp -51.64 -28.31 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.340000000000003 111.129 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.27 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 65.319999999999993 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -28.7 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.210000000000001 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.71 -50.75 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 51.130000000000003 111.054 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 67' ' ' LEU . 1.3 tt -68.31 -36.89 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.420000000000002 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.27 -23.31 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 70.430000000000007 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HB1' ' HG2' ' A' ' 20' ' ' GLU . . . -64.69 -56.56 12.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 53.240000000000002 111.121 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 62.88 15.59 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 63.450000000000003 110.9 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 176.92 88.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.450000000000003 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.551 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 57.7 mm-40 -155.9 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.49 7.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.200000000000003 112.513 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -60.36 -18.19 48.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 74.439999999999998 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 16.9 p90 -45.86 -32.21 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.340000000000003 110.918 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -45.43 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 71.409999999999997 110.885 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.47 -30.39 57.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.87 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.120000000000005 111.072 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD13 ' OE1' ' A' ' 65' ' ' GLU . 26.5 mt -52.98 -28.74 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 65.239999999999995 110.906 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -61.35 -32.79 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 63.299999999999997 110.929 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -37.89 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.549999999999997 110.84 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 11' ' ' ILE . 16.3 m-85 -72.02 -40.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -37.38 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.409999999999997 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -19.29 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.36 -40.78 91.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 54.520000000000003 112.51 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.88 -38.8 35.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 75.319999999999993 112.446 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' A' ' 61' ' ' LEU . 2.4 mm-40 -62.25 -17.23 57.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 64.120000000000005 110.876 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -65.1 -48.51 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.310000000000002 110.909 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 34' ' ' GLY . 12.3 tt -55.52 -25.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.310000000000002 111.093 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 42' ' ' GLU . 45.2 t -56.41 -39.51 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.099999999999994 111.117 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 36' ' ' MET . 6.8 t -51.62 -30.31 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.46 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.409999999999997 111.078 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.62 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.77 -45.97 40.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 62.32 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.1 mt-10 -56.37 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.539999999999999 110.878 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -25.09 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.200000000000003 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -91.49 -176.51 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 64.319999999999993 110.863 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.5 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 111.098 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -94.59 49.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 54.039999999999999 110.839 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.577 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp-100 -126.01 136.47 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.888 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -79.19 -30.8 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' HG3' ' A' ' 47' ' ' GLN . 28.9 m -77.85 -32.78 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 64.319999999999993 111.145 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.58 -45.32 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.450000000000003 110.894 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -53.42 -48.92 68.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.843 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.42 -29.64 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.32 -42.57 87.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 41' ' ' ALA . 7.3 mt -76.42 -50.33 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.450000000000003 110.893 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -55.14 -41.18 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.813 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -68.7 -32.58 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.934 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.15 -52.58 22.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 62.329999999999998 112.499 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -22.14 65.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.349999999999994 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -60.64 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.9 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -51.14 -30.87 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.149999999999999 111.156 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 57' ' ' GLY . 5.3 mp -62.75 -47.39 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 110.921 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -79.63 -30.02 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -69.88 -45.79 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 62.130000000000003 110.904 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.54 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.219999999999999 111.081 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE1' HD13 ' A' ' 27' ' ' LEU . 2.4 mt-10 -76.0 -22.58 55.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 71.510000000000005 110.902 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -52.68 27.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 52.119999999999997 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 11' ' ' ILE . 1.8 pp -70.12 -32.59 70.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 73.319999999999993 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.15 -36.09 82.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 35.140000000000001 111.124 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE1' HD13 ' A' ' 72' ' ' LEU . 5.4 mm-40 -81.44 -22.44 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 73.099999999999994 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -35.94 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 110.942 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.6 pt -50.93 -44.17 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 73.019999999999996 111.102 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -73.47 -40.0 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.219999999999999 110.948 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.8 -30.81 46.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.874 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.519999999999996 110.861 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.74 0.305 . . . . 53.439999999999998 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.504 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.8 mm -51.67 -42.7 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 111.135 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.45 -30.0 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 52.450000000000003 110.88 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.81 -34.48 77.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.832 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.8 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.091 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.2 m-85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.109999999999999 110.863 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -78.28 -33.26 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.845 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.74 -26.21 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 30.140000000000001 111.126 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' CD1' ' A' ' 30' ' ' PHE . 4.3 tp -50.69 -28.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.095 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.44 -33.29 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 52.399999999999999 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -29.04 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.219999999999999 110.889 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -47.83 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.07 -33.64 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.162 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.79 -24.99 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.230000000000004 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -51.5 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 111.085 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 71' ' ' ILE . 2.9 mt-10 61.05 57.05 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.894 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 63.25 96.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.140000000000001 110.909 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -157.77 -48.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 110.919 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.5 2.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 75.219999999999999 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -26.0 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 74.549999999999997 110.857 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -52.02 -31.97 32.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.978 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -47.27 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.841 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -74.97 -25.63 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 110.902 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.6 89.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 51.32 111.106 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.0 mt -64.99 -28.69 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.439999999999998 110.938 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -46.05 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 71.409999999999997 110.904 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.14 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.439999999999998 110.889 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' HD13 ' A' ' 11' ' ' ILE . 12.4 t80 -77.51 -41.74 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.908 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.35 -31.07 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.927 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -28.01 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.876 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.59 -44.64 12.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 71.519999999999996 112.449 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.24 -29.02 55.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 74.530000000000001 112.516 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -77.83 -17.18 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 71.439999999999998 110.846 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 4' ' ' ILE . 2.5 mmt -72.09 -39.95 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 110.854 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 tt -79.33 -26.06 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 111.147 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 34' ' ' GLY . 96.9 t -72.22 -51.05 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 111.159 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -51.33 -30.18 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 111.115 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.2 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.540000000000006 111.112 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -69.62 -30.98 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 34.520000000000003 111.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mt-10 -76.28 -33.98 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.150000000000006 110.865 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -86.09 -24.22 26.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -85.97 -176.65 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 52.539999999999999 110.898 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.57 149.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 111.107 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 27.66 15.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 72.030000000000001 110.836 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 139.33 43.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.927 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -74.36 -33.46 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.540000000000006 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.62 -36.19 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 63.210000000000001 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.578 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.63 -41.83 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.540000000000006 110.855 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.9 -47.97 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.140000000000001 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -69.82 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.943 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.54 -41.51 76.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 71.129999999999995 110.927 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.52 -51.33 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.95 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 25.4 t-80 -52.35 -45.06 65.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 110.85 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.6 mmtt -75.76 -21.12 57.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.941 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.36 -53.95 12.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 71.329999999999998 112.514 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.68 -19.42 57.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 63.450000000000003 110.906 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -75.13 -60.62 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 56' ' ' LYS . 31.3 m -51.8 -30.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.540000000000006 111.117 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 58' ' ' LYS . 40.0 mt -69.04 -52.72 25.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.78 -31.2 70.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.109999999999999 110.855 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -75.65 -38.69 58.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.299999999999997 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -62.86 -29.29 70.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.519999999999996 111.094 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.69 -22.52 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.299999999999997 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.53 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 73.549999999999997 110.813 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.33 -32.77 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 110.864 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 111.104 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.06 -21.72 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 45.020000000000003 110.836 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -44.87 -36.57 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.340000000000003 110.876 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.43 -44.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 111.126 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 63.549999999999997 110.947 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.04 -31.05 28.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.839 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.775 0.322 . . . . 62.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.66 -38.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 111.117 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -30.23 45.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.109999999999999 110.841 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.76 -30.87 71.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 110.825 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -66.35 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 60.5 111.091 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.9 m-85 -66.12 -32.09 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.519999999999996 110.955 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -78.14 -33.66 50.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 65.230000000000004 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.21 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 111.087 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 8' ' ' PHE . 6.1 tp -50.69 -28.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 63.520000000000003 111.135 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -37.57 81.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 61.549999999999997 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -28.92 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.862 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -50.71 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -71.26 -33.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 111.076 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.92 -22.95 66.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.32 110.947 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.74 38.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.09 108.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.35 87.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 74.200000000000003 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -162.57 -177.9 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 7.28 3.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 71.030000000000001 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -20.57 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 72.200000000000003 110.897 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 15.9 p90 -48.27 -30.32 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 110.95 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.89 -45.8 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 75.439999999999998 110.845 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -26.54 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 54.520000000000003 110.878 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -41.55 57.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.23 -28.77 65.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 62.030000000000001 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -51.72 -45.68 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.893 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -60.72 -28.43 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.430000000000007 110.84 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 18.9 t80 -77.94 -40.73 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 61' ' ' LEU . 3.5 mm? -59.82 -30.22 68.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.926 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -24.98 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.825 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -51.44 6.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 52.219999999999999 112.506 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -55.23 -32.25 57.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 51.130000000000003 112.473 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.93 -23.26 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 64.530000000000001 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.689 ' O ' HG22 ' A' ' 39' ' ' THR . 2.5 mmm -73.65 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.310000000000002 110.842 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -26.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.540000000000006 111.132 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 34' ' ' GLY . 91.2 t -66.59 -38.8 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.096 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -51.28 -29.61 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.102 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -37.5 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 60.310000000000002 111.105 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.78 -45.16 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 53.119999999999997 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.6 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.859 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -22.6 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.030000000000001 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -91.08 -178.83 5.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.935 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.65 -50.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 53.100000000000001 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.89 48.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.852 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.3 tp60 -125.65 132.46 52.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 71.549999999999997 110.886 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -78.52 -29.36 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.61 -31.9 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 111.113 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.528 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -46.06 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.519999999999996 110.852 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -52.53 -48.46 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.109999999999999 110.901 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.0 -29.53 62.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 64.430000000000007 110.929 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.75 -42.58 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.86 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.8 mt -76.49 -51.17 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.88 -39.88 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 110.855 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.63 ' O ' HG13 ' A' ' 60' ' ' VAL . 15.0 mmtt -68.98 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 72.340000000000003 110.893 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.62 -52.41 25.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.717 . . . . 65.230000000000004 112.525 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -24.23 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 75.140000000000001 110.942 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -79.22 -60.83 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 56' ' ' LYS . 21.8 m -51.25 -30.37 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 111.109 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 31' ' ' LEU . 46.1 mt -73.62 -37.12 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.129999999999995 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.87 -32.09 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.871 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -75.67 -41.59 53.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.400000000000006 110.96 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.74 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 65.310000000000002 111.094 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.02 -24.68 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 74.019999999999996 110.887 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -54.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.22 -32.94 71.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.48 78.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.099 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.9 -21.77 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.95 -36.87 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 73.200000000000003 110.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.9 pt -50.38 -44.22 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 70.219999999999999 111.196 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.07 -40.8 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 110.924 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -30.48 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.898 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.71 0.291 . . . . 75.129999999999995 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.45 -30.92 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 64.209999999999994 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -30.03 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.010000000000005 110.88 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.47 -23.65 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 53.299999999999997 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.07 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 63.530000000000001 111.118 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -50.81 -47.92 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.93 -34.99 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 110.876 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -33.8 67.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 111.061 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.637 HD11 ' CD1' ' A' ' 30' ' ' PHE . 37.5 mm -53.18 -47.28 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 111.129 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -28.94 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 42.119999999999997 110.849 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.08 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 63.030000000000001 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.040000000000006 111.138 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.23 -45.46 76.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 53.310000000000002 111.104 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.2 mt-10 63.56 35.2 11.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.010000000000005 110.872 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' O ' HD13 ' A' ' 71' ' ' ILE . 55.9 t30 -141.23 160.32 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 71.439999999999998 110.871 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -117.53 110.7 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 63.509999999999998 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.84 -115.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 75.530000000000001 112.496 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -65.66 -22.06 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 75.310000000000002 110.863 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -51.35 -30.61 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 110.891 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 71.510000000000005 110.854 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.18 -31.41 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.010000000000005 110.878 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.68 62.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.310000000000002 111.116 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' ALA . 7.2 mt -53.35 -36.69 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 54.32 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -52.97 -28.83 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.891 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -37.35 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.019999999999996 110.893 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CD1' HD11 ' A' ' 11' ' ' ILE . 51.7 t80 -61.45 -47.34 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.83 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.75 -36.63 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 55.340000000000003 110.957 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -49.87 -49.26 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.430000000000007 110.849 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.95 74.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 61.039999999999999 112.509 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.36 -29.21 56.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 51.530000000000001 112.471 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.97 -23.04 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 75.019999999999996 110.903 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.3 mmt -72.72 -28.07 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.209999999999994 110.927 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 57' ' ' GLY . 3.9 tp -71.03 -27.25 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.123 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.85 -54.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 70.040000000000006 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -49.18 -45.1 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 111.161 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.319999999999993 111.121 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.735 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.97 -49.93 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 111.103 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.24 -54.12 44.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 110.932 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -28.61 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.120000000000005 110.856 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -99.86 -169.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.16 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -94.02 40.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 61.509999999999998 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' CG ' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -123.35 137.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.340000000000003 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -35.26 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.010000000000005 110.892 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 47' ' ' GLN . 18.1 m -75.59 -30.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 75.230000000000004 111.127 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -51.28 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 62.340000000000003 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.4 -27.47 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.33 -30.0 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.913 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 40' ' ' ALA . 80.0 mt -59.72 -46.3 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.938 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD11 ' HB1' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -76.16 -41.45 49.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.430000000000007 110.915 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -51.41 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.834 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 60' ' ' VAL . 4.9 mtmp? -75.9 -34.06 59.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.200000000000003 110.905 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -63.32 -40.77 99.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.761 . . . . 54.409999999999997 112.496 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.39 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 73.409999999999997 110.857 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.58 -56.41 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 65.329999999999998 110.881 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 56' ' ' LYS . 32.6 m -52.03 -31.57 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 53.240000000000002 111.13 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.31 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 71.340000000000003 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.32 -32.63 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -76.09 -47.37 24.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 64.25 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.66 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.43 111.061 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -76.65 -32.23 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.040000000000006 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -55.47 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD11 ' CG2' ' A' ' 11' ' ' ILE . 3.6 pp -70.41 -38.64 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.329999999999998 110.954 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.16 -26.9 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 61.520000000000003 111.085 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.69 -23.42 39.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.88 -51.74 21.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.74 -35.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.129999999999995 111.124 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 71' ' ' ILE . 13.1 mt -71.09 -48.21 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.099999999999994 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -58.37 -29.11 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 62.240000000000002 110.937 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 65.430000000000007 110.836 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.764 0.316 . . . . 75.439999999999998 111.15 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.2 mm -51.55 -43.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 60.43 111.137 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.85 -30.13 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.839 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.71 -36.75 81.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.209999999999994 110.808 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.27 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 111.077 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -61.14 -32.09 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.439999999999998 110.884 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -78.13 -33.5 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 51.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.56 57.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 111.069 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.661 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.2 tp -50.74 -28.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 62.210000000000001 111.173 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -30.56 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.855 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.56 -51.3 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 63.25 111.087 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -74.17 -33.28 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 64.530000000000001 111.117 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -62.64 -23.25 66.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -59.41 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.109999999999999 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 43.75 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 70.040000000000006 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -91.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.340000000000003 110.867 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 172.2 104.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 64.340000000000003 110.883 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.97 -37.94 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 74.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -27.91 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 62.409999999999997 110.87 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 71' ' ' ILE . 9.5 m-85 -57.4 -28.78 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.873 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -55.73 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 75.420000000000002 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -22.5 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -75.6 -49.89 17.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 71.540000000000006 111.091 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -57.99 -28.28 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 54.439999999999998 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -50.29 -31.48 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 64.140000000000001 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -43.37 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 110.874 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CD1' HD13 ' A' ' 11' ' ' ILE . 23.3 t80 -66.34 -41.77 89.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -30.15 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 64.120000000000005 110.911 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.67 -45.03 72.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 74.310000000000002 110.837 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.26 89.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 60.130000000000003 112.506 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -54.31 -37.36 59.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 71.140000000000001 112.489 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.29 -17.86 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 64.219999999999999 110.907 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.0 mmm -70.48 -29.08 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 64.519999999999996 110.816 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.671 HG13 HD23 ' A' ' 53' ' ' LEU . 8.5 tt -79.77 -25.22 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.019999999999996 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.767 HG12 ' HG3' ' A' ' 42' ' ' GLU . 48.4 t -75.02 -49.98 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -50.47 -30.66 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.11 67.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.091 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.91 -50.84 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.150000000000006 111.088 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.767 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mm-40 -55.15 -53.1 60.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 62.329999999999998 110.882 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -61.57 -25.33 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 73.310000000000002 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -91.79 -177.55 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.230000000000004 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.61 140.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.140000000000001 111.086 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t 63.36 25.93 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 54.450000000000003 110.866 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 139.94 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.409999999999997 110.953 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -69.81 -34.47 73.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.22 -31.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 70.319999999999993 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -51.38 -34.9 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 65.040000000000006 110.867 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.16 -34.37 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.898 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -30.27 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.671 HD23 HG13 ' A' ' 37' ' ' ILE . 1.3 mt -63.15 -45.21 92.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 73.209999999999994 110.923 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.09 -30.18 58.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.450000000000003 110.899 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 45.100000000000001 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.0 mmtm -70.57 -27.95 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.299999999999997 110.894 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.85 -52.45 24.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 53.109999999999999 112.465 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.17 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 65.329999999999998 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.08 -60.68 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.340000000000003 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LYS . 22.3 m -51.23 -30.46 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.085 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.75 -48.65 45.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.409999999999997 110.952 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.2 -27.18 64.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -55.09 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 75.319999999999993 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.53 -29.77 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 111.101 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -22.27 54.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.420000000000002 110.898 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -55.08 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.430000000000007 110.889 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.11 -40.94 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 60.520000000000003 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 67' ' ' LEU . . . -62.91 -26.98 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 51.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 -80.01 -23.15 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.510000000000005 110.874 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -46.45 -51.83 14.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -51.24 -38.16 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.209999999999994 111.107 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 69' ' ' GLU . 7.5 mt -72.12 -41.75 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 60.520000000000003 110.941 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.23 -30.39 70.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.230000000000004 110.888 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 71.430000000000007 110.907 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.708 0.289 . . . . 71.150000000000006 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.47 -36.78 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 71.010000000000005 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -52.78 -30.11 31.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.875 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.1 -32.71 73.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.858 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.82 -53.45 26.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.140000000000001 111.107 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.71 -41.38 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.420000000000002 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -57.85 -33.5 68.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.52 -39.18 58.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 111.081 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 67' ' ' LEU . 60.4 mt -51.19 -49.65 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.097 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -51.75 -38.11 54.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -28.73 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.831 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.66 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 45.119999999999997 111.122 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -60.15 -32.71 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.150000000000006 111.142 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -22.92 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . . . -47.92 -47.54 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 64.099999999999994 111.113 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 59.83 63.11 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.319999999999993 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -178.24 -172.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 110.875 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.56 105.44 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 64.420000000000002 110.88 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.86 -62.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 73.25 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -22.16 39.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 65.420000000000002 110.859 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 71' ' ' ILE . 19.4 m-85 -50.6 -49.71 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 110.867 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -51.88 -39.52 59.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 63.119999999999997 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -43.98 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 70.340000000000003 110.841 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.8 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.061 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' HG2' ' A' ' 65' ' ' GLU . 40.6 mt -58.11 -30.59 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.140000000000001 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -27.33 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.894 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -45.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.409999999999997 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 17.8 m-85 -59.24 -44.94 92.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' A' ' 61' ' ' LEU . 1.2 mp -58.31 -36.64 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 34.43 110.947 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.37 -33.76 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.240000000000002 110.863 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.35 -46.35 34.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 62.450000000000003 112.498 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA3' HD21 ' A' ' 61' ' ' LEU . . . -55.92 -33.98 61.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 43.140000000000001 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.63 -17.48 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 54.409999999999997 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.14 -39.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 74.150000000000006 110.858 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 34' ' ' GLY . 9.6 tp -79.65 -24.98 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.25 -53.4 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.299999999999997 111.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.83 -38.0 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 111.109 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.42 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 64.310000000000002 111.074 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.69 -46.76 35.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.109 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.66 -52.48 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.74 -25.3 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.27 -177.31 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.875 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.05 -44.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 42.5 111.126 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 t -91.56 45.89 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.400000000000006 110.874 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.5 tp60 -126.11 130.74 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -29.94 56.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.9 m -77.51 -31.94 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.539999999999999 111.141 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.24 -43.68 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.885 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -57.26 -49.59 75.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 110.906 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.28 -29.81 66.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 64.409999999999997 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -59.05 -46.84 87.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 110.964 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 41' ' ' ALA . 1.4 mt -76.31 -40.14 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 60.420000000000002 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.27 -49.71 76.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.399999999999999 110.854 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.633 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.7 mtmt -74.21 -32.41 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.663 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -69.26 -35.06 76.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 44.340000000000003 112.445 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -32.55 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.707 0.289 . . . . 71.049999999999997 110.85 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.05 -60.59 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.129999999999995 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.1 p -51.19 -30.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.12 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.806 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.1 mm? -62.98 -46.2 88.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.509999999999998 110.929 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.29 -26.92 35.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -67.53 -52.81 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.909 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' HD13 ' A' ' 11' ' ' ILE . . . -55.18 -31.22 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.019999999999996 111.118 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.606 ' HG2' HD22 ' A' ' 27' ' ' LEU . 4.9 mt-10 -76.86 -21.84 54.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.857 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.5 -54.26 47.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.099999999999994 110.837 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD13 ' HB ' ' A' ' 15' ' ' ILE . 3.8 pp -69.25 -40.88 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 70.439999999999998 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.74 -26.6 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 65.200000000000003 111.132 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 mm-40 -80.35 -23.79 40.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 110.877 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -46.31 -51.66 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.907 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.664 HG21 ' CZ ' ' A' ' 23' ' ' TYR . 1.5 pp -52.3 -39.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.209999999999994 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.9 mt -67.98 -47.98 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 43.340000000000003 110.929 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.7 -29.44 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.040000000000006 110.878 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 64.030000000000001 110.894 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.741 0.305 . . . . 64.409999999999997 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 8' ' ' PHE . 47.9 mm -51.94 -43.25 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.122 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.89 -30.04 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.72 -35.79 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -65.65 -52.97 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.567 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.3 m-85 -53.99 -32.05 52.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -76.17 -30.94 58.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.854 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.31 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 111.079 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -50.64 -28.52 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.420000000000002 111.104 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.84 -32.64 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -34.97 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.120000000000005 110.88 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -50.83 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.409999999999997 111.098 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -68.94 -32.97 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 70.140000000000001 111.133 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.38 -23.58 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.409999999999997 110.903 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.38 -40.6 36.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 62.450000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 61.23 20.71 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -178.5 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.886 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.45 91.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.25 -80.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 43.030000000000001 112.47 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -20.33 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 71.25 110.862 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -50.67 -28.32 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.943 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -39.1 64.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 74.519999999999996 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.409999999999997 110.876 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . . . -63.17 -49.99 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 41.009999999999998 111.099 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -34.12 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.919 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -78.34 -43.52 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 63.229999999999997 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' A' ' 11' ' ' ILE . 6.5 m-85 -61.68 -44.28 97.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.010000000000005 110.859 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 ' HA ' HD22 ' A' ' 61' ' ' LEU . 2.1 mp -60.87 -33.18 72.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 63.210000000000001 110.947 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -71.56 -42.22 68.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.030000000000001 110.818 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.68 94.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 72.540000000000006 112.477 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -60.39 -29.27 68.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 61.340000000000003 112.497 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.92 -17.2 53.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 62.530000000000001 110.905 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -38.44 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 72.519999999999996 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.497 HD11 ' HG ' ' A' ' 53' ' ' LEU . 12.5 tt -77.05 -25.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.230000000000004 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.2 t -64.53 -53.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 62.310000000000002 111.141 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -54.69 -30.08 54.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 75.120000000000005 111.146 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.92 77.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 64.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -73.21 -37.18 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.14 -50.46 63.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 62.509999999999998 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -25.35 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.927 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.29 -177.3 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.420000000000002 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -172.24 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -85.98 53.37 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.896 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.6 tp60 -141.75 136.26 30.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.409999999999997 110.94 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -31.73 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 110.849 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.2 m -77.11 -31.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 111.136 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.675 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -42.71 -37.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.932 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -67.43 -50.37 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.310000000000002 110.898 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.37 -29.32 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.985 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.310000000000002 110.909 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -75.77 -47.2 26.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.230000000000004 110.93 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.81 -50.21 69.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.210000000000001 110.846 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.608 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.4 mtpm? -76.0 -20.97 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.56 -53.03 8.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 62.450000000000003 112.51 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.15 -18.31 60.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 55.0 110.928 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -60.82 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 54.310000000000002 110.877 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 56' ' ' LYS . 20.2 m -51.57 -30.72 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.030000000000001 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.701 HD11 ' HA3' ' A' ' 34' ' ' GLY . 30.6 mt -73.98 -36.68 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.450000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -30.93 46.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 75.010000000000005 110.873 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -75.8 -36.4 59.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.420000000000002 110.919 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -64.47 -29.88 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.178 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.4 -22.54 54.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 110.858 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -56.1 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 71.519999999999996 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.7 pp -70.16 -30.76 67.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.420000000000002 110.931 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.17 80.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.340000000000003 111.095 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.1 -21.47 39.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.87 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -44.79 -36.56 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 51.219999999999999 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -41.87 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 110.928 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -60.33 -27.72 67.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 70.230000000000004 110.888 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.842 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.734 0.302 . . . . 72.319999999999993 111.183 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -26.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.140000000000001 111.127 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.54 -35.12 78.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 110.863 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.1 -38.11 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.867 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.14 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 41.310000000000002 111.111 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.6 ' O ' HG22 ' A' ' 11' ' ' ILE . 21.7 m-85 -60.21 -31.99 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -78.19 -34.96 49.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.17 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 60.109999999999999 111.111 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 HD11 ' A' ' 67' ' ' LEU . 2.9 tt -50.62 -28.4 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 111.141 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.88 -37.66 79.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.93 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -29.06 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.886 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.94 66.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.409999999999997 111.142 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -64.35 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 111.135 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.96 -23.55 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.872 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.36 -43.93 61.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 63.030000000000001 111.084 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 51.98 54.45 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 110.88 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' HD12 ' A' ' 71' ' ' ILE . 25.8 t30 -126.93 175.72 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 110.918 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -134.3 38.09 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.888 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.53 -53.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 60.240000000000002 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -81.35 -21.39 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.881 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.8 p90 -53.36 -31.93 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 54.310000000000002 110.965 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.71 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.895 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -33.79 60.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.83 87.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 41.539999999999999 111.122 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 30' ' ' PHE . 18.6 mt -60.4 -28.57 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.892 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -51.53 -34.9 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.210000000000001 110.931 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -72.67 -33.76 66.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.848 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 25.5 m-85 -76.95 -38.37 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.841 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HA ' HD11 ' A' ' 61' ' ' LEU . 3.3 mp -53.83 -40.51 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.340000000000003 110.895 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -71.77 -22.09 61.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.8 60.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 71.140000000000001 112.493 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.711 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -73.1 -56.55 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 64.129999999999995 112.502 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.0 -24.82 7.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 74.120000000000005 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.688 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -58.51 -28.86 65.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.540000000000006 110.85 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 34' ' ' GLY . 13.4 tt -79.32 -25.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 60.399999999999999 111.125 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG12 ' HG3' ' A' ' 42' ' ' GLU . 92.1 t -61.73 -43.89 97.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 111.129 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 36' ' ' MET . 8.6 t -51.26 -29.76 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 63.310000000000002 111.125 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.83 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.77 -28.55 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 61.420000000000002 111.109 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.644 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.0 mm-40 -79.29 -23.82 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.881 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.34 -24.13 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -100.89 -175.03 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -174.38 155.03 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 35.439999999999998 111.078 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t 63.24 34.4 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.040000000000006 110.87 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.45 146.31 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.310000000000002 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -78.72 -33.65 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -78.05 -36.74 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 111.102 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -43.63 -44.73 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.310000000000002 110.88 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -53.57 -48.55 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.140000000000001 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.93 -29.72 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 75.420000000000002 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -59.93 -43.8 94.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.450000000000003 110.954 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.64 -43.25 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.150000000000006 110.932 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.76 -49.13 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.846 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.91 -36.15 75.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 60.020000000000003 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.559 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -52.52 -49.78 50.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 42.240000000000002 112.485 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -29.86 57.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.748 0.309 . . . . 62.240000000000002 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -65.6 -60.71 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 51.520000000000003 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.7 m -51.38 -30.58 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 54.219999999999999 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' GLY . 2.4 mm? -69.1 -52.87 23.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.909 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.93 -27.84 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -75.82 -50.95 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.43 110.93 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.23 60.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.120000000000005 111.073 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.19 -22.55 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 63.130000000000003 110.877 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -53.62 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.120000000000005 110.867 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.2 -32.74 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 70.109999999999999 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.74 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.010000000000005 111.132 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.03 -21.76 39.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.530000000000001 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.87 -36.34 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.958 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.7 pt -50.37 -44.41 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.21 -41.83 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 55.109999999999999 110.942 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.68 32.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 110.871 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.409999999999997 110.851 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 64.219999999999999 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.15 67.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 72.400000000000006 112.498 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -155.25 148.81 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 51.329999999999998 111.12 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.542 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.9 mm -51.51 -41.52 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 65.209999999999994 111.138 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.01 -30.08 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 110.864 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.86 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 53.020000000000003 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.26 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 61.020000000000003 111.09 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.7 m-85 -71.56 -32.11 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.891 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -76.92 -31.59 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 75.310000000000002 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.5 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.099 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 tp -50.95 -28.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.112 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -62.27 -39.73 93.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -28.76 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.868 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.34 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 72.200000000000003 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -36.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 70.239999999999995 111.133 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -63.33 -23.41 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 23' ' ' TYR . . . -60.58 -55.72 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 54.43 111.104 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 71' ' ' ILE . 3.5 mt-10 60.16 55.06 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.530000000000001 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -161.08 175.83 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 72' ' ' LEU . 56.5 mt-10 -114.56 106.78 14.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.83 -139.69 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.319999999999993 112.502 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -58.55 -19.86 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 71.230000000000004 110.835 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 17' ' ' ALA . 44.0 m-85 -48.58 -28.64 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.907 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -66.78 -45.25 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.409999999999997 110.82 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.71 -22.4 53.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.150000000000006 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.97 82.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 50.310000000000002 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.7 mt -57.29 -36.66 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -36.15 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.939 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.48 -38.96 91.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 64.319999999999993 110.902 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -68.06 -42.66 80.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 61' ' ' LEU . 2.5 mt -58.58 -30.18 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 71.219999999999999 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.835 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.52 72.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 73.430000000000007 112.458 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.753 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -55.95 -29.5 55.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 33.210000000000001 112.502 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.47 -17.7 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 70.049999999999997 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 mmt -70.57 -35.81 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.71 ' CG1' HD23 ' A' ' 53' ' ' LEU . 6.9 tt -80.0 -25.75 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.25 111.129 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' GLY . 98.3 t -75.01 -50.33 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.040000000000006 111.159 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -49.95 -37.04 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 52.049999999999997 111.167 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.78 87.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.066 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.85 -41.69 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 72.150000000000006 111.145 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.27 -51.14 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -23.72 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.891 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -105.11 -169.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.06 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 51.140000000000001 111.101 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.94 57.01 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.846 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -133.89 129.77 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 74.540000000000006 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.14 -35.28 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 60.009999999999998 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . 14.9 m -72.87 -31.07 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 64.5 111.079 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -50.55 -34.28 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 71.510000000000005 110.869 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -71.61 -35.45 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.932 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.0 tp -77.9 -34.12 51.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.420000000000002 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.71 HD23 ' CG1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -60.03 -40.6 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.530000000000001 110.876 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD11 ' HB1' ' A' ' 41' ' ' ALA . 4.8 mt -76.33 -51.26 12.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 74.349999999999994 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -56.17 -46.45 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.400000000000006 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -70.71 -29.84 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.587 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.87 -51.02 26.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 64.019999999999996 112.477 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.76 67.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 65.439999999999998 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.24 -61.0 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.16 -30.98 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 111.137 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.753 HD11 ' HA3' ' A' ' 34' ' ' GLY . 4.1 mp -66.94 -41.17 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 110.912 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.55 -27.54 34.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 61.520000000000003 110.91 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -47.89 22.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.23 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 51.299999999999997 111.106 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.71 -28.35 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -53.74 41.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 65.219999999999999 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.22 -35.23 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.59 -34.58 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 33.25 111.089 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.11 -21.99 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.200000000000003 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -44.97 -36.84 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 18' ' ' GLU . 5.8 pt -50.41 -44.2 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD23 ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -73.06 -41.0 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.889 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -30.44 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 53.439999999999998 110.895 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.9 t60 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 71.109999999999999 110.879 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.328 . . . . 53.219999999999999 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.39 44.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 75.25 112.507 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -155.56 150.69 26.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 52.049999999999997 111.137 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.94 -36.02 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 111.1 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.0 -30.03 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.89 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.85 -23.64 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.866 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.728 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.39 -56.06 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 63.539999999999999 111.087 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.08 -47.43 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.43 -35.49 75.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.88 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 30' ' ' PHE . 31.0 mm -62.37 -29.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 65.230000000000004 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -60.5 -37.86 82.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 64.329999999999998 110.893 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -29.04 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.239999999999995 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.16 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 63.229999999999997 111.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -37.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.123 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -23.39 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 110.923 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -55.59 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.4 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.855 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.35 -169.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 75.049999999999997 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.32 45.68 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.9 -30.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 70.400000000000006 112.518 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.54 -30.3 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 72.439999999999998 110.868 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.734 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 16.7 p90 -72.75 -31.69 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 55.549999999999997 110.93 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.38 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 72.340000000000003 110.846 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.53 -27.15 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.109999999999999 110.945 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.34 -35.84 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 60.310000000000002 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.3 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 64.340000000000003 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -42.73 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.150000000000006 110.887 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.56 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.209999999999994 110.891 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 24.2 t80 -78.53 -40.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.430000000000007 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.5 -30.23 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.219999999999999 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.48 -29.47 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.817 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.95 23.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 25.329999999999998 112.472 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.22 -29.32 56.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 63.039999999999999 112.49 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.1 -17.22 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 73.319999999999993 110.883 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.694 ' O ' HG22 ' A' ' 39' ' ' THR . 4.5 mmt -70.59 -28.79 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.88 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.711 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.8 tt -79.85 -24.91 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.129999999999995 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' HG3' ' A' ' 42' ' ' GLU . 98.6 t -68.29 -40.59 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.25 111.162 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -50.89 -29.67 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 71.25 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.918 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.32 -37.69 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.310000000000002 111.148 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.72 -46.99 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 111.117 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.706 ' HG3' HG12 ' A' ' 38' ' ' VAL . 47.4 mt-10 -54.83 -54.99 35.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.461 . . . . 61.229999999999997 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -25.74 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 64.420000000000002 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -100.64 -176.49 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.019999999999996 110.843 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.84 -61.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 51.210000000000001 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -92.12 55.63 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.240000000000002 110.851 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.42 146.76 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -75.3 -35.44 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 53' ' ' LEU . 30.0 m -77.15 -31.98 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 111.142 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -35.78 47.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 64.450000000000003 110.906 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.23 -30.35 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 43.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.0 tt -77.73 -36.36 50.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.905 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.209999999999994 110.92 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 41' ' ' ALA . 3.4 mt -75.85 -45.86 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.040000000000006 110.914 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.21 -50.2 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.878 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.4 mmtt -75.24 -21.14 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.140000000000001 110.88 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -71.1 -53.24 10.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 72.25 112.497 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.43 -18.4 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 73.439999999999998 110.882 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.35 -60.73 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.430000000000007 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.9 m -52.77 -30.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.450000000000003 111.087 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' LYS . 57.2 mt -71.03 -46.63 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 65.540000000000006 110.926 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.24 -32.37 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.896 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.7 -36.33 60.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.329999999999998 110.937 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.18 -33.24 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.450000000000003 111.098 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.420000000000002 110.872 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -52.67 59.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.876 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 11' ' ' ILE . 3.0 pp -70.32 -36.72 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 110.933 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.9 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 70.349999999999994 111.09 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.92 -22.84 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 74.010000000000005 110.845 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -47.79 -51.3 23.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 72.200000000000003 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.554 HD11 ' CG ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -49.37 -34.39 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 72.439999999999998 111.159 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.734 HD21 ' CZ ' ' A' ' 23' ' ' TYR . 15.1 mt -71.22 -50.31 34.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.899 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -56.66 -30.59 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.150000000000006 110.825 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 73.230000000000004 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.17 67.19 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 72.329999999999998 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -156.53 148.36 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 72.510000000000005 111.158 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.523 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.0 mm -51.57 -42.31 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.0 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.902 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.853 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.3 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.209999999999994 111.124 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.6 m-85 -66.9 -32.12 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.922 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -78.29 -33.72 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.240000000000002 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.22 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 55.149999999999999 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.653 HG12 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -50.53 -28.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.140000000000001 111.163 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.62 -30.77 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.120000000000005 110.879 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -36.88 61.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.230000000000004 110.899 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 64.519999999999996 111.107 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.57 -34.33 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 70.049999999999997 111.147 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -25.1 63.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.120000000000005 110.887 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 53.229999999999997 111.112 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 61.4 61.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 73.010000000000005 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.23 100.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.329999999999998 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -143.31 -64.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 42.25 110.875 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.24 -32.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 74.420000000000002 112.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -19.96 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 64.109999999999999 110.872 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -48.39 -30.56 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 110.938 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -70.28 -45.02 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 64.030000000000001 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.35 -21.62 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 52.409999999999997 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.22 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 51.219999999999999 111.11 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 68' ' ' ALA . 78.8 mt -68.85 -28.91 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.929 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -31.82 28.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.908 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.13 -37.28 75.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.913 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -79.01 -33.66 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.0 mm? -56.48 -33.81 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 73.319999999999993 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.33 -18.73 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 110.898 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.01 93.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 40.240000000000002 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -81.39 -31.1 34.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 63.25 112.52 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.53 -17.52 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.343 . . . . 63.219999999999999 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -76.9 -35.53 57.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 73.430000000000007 110.865 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 HD11 ' HG ' ' A' ' 53' ' ' LEU . 9.2 tp -79.68 -26.33 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.010000000000005 111.137 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 34' ' ' GLY . 69.9 t -57.61 -45.92 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 64.120000000000005 111.108 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 12.9 t -51.04 -31.03 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.173 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -38.2 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 111.098 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.88 -55.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 38' ' ' VAL . 6.0 mm-40 -51.93 -45.91 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 63.520000000000003 110.897 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -68.79 -23.86 64.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -94.89 -178.35 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.319999999999993 110.915 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.75 -53.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.075 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -84.49 54.91 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 110.826 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp60 -132.85 131.96 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.109999999999999 110.892 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.340000000000003 110.937 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.8 m -77.34 -31.97 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.130000000000003 111.124 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.537 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.4 -46.04 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 52.310000000000002 110.9 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.41 -48.73 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 tp -73.83 -29.67 62.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 62.43 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 37' ' ' ILE . 1.2 mp -58.84 -42.7 89.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.935 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 41' ' ' ALA . 6.7 mt -76.34 -51.39 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.927 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -55.67 -35.14 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.219999999999999 110.86 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 5.7 mmtt -71.44 -31.12 66.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.239999999999995 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.699 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.25 -44.74 58.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 44.43 112.508 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -20.88 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 62.140000000000001 110.929 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.21 -60.57 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 60.32 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 27.4 m -50.38 -30.97 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.130000000000003 111.113 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.5 mp -70.92 -46.6 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 110.941 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.0 -32.77 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.510000000000005 110.849 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -75.76 -48.6 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 54.420000000000002 110.91 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.3 -31.02 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 51.130000000000003 111.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.13 -22.74 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.140000000000001 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -52.25 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.299999999999997 110.871 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.653 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.25 -32.48 70.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.942 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.18 -34.23 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 111.124 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.06 -21.77 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 60.530000000000001 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -44.82 -36.65 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.439999999999998 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.44 -44.36 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.450000000000003 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -73.02 -41.22 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 53.039999999999999 110.929 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -32.36 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.842 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.347 . . . . 73.549999999999997 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.81 82.74 0.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 62.530000000000001 112.471 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -134.03 147.34 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 52.130000000000003 111.13 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.68 -37.34 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 63.210000000000001 111.08 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -29.99 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.894 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.53 -38.12 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 53.509999999999998 110.832 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.31 90.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.577 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.3 m-85 -65.33 -31.99 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -76.93 -31.69 56.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 72.510000000000005 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.34 57.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 44.420000000000002 111.092 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG12 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.63 -28.61 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 111.169 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.04 -37.57 54.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 72.150000000000006 110.911 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -36.85 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -50.69 68.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.240000000000002 111.108 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 67' ' ' LEU . 4.0 tt -67.51 -35.05 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 65.129999999999995 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -23.45 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 65.5 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.19 -56.91 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 64.439999999999998 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 48.27 37.67 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.866 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.21 -74.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 64.030000000000001 110.846 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 179.55 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.87 5.19 4.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 75.340000000000003 112.5 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.89 -44.32 91.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 64.230000000000004 110.865 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 71' ' ' ILE . 6.8 p90 -50.91 -30.24 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.966 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -49.86 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.230000000000004 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.37 -23.05 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.66 52.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 54.25 111.122 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.35 -28.69 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 62.229999999999997 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -31.03 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.530000000000001 110.925 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -71.89 -37.47 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.040000000000006 110.834 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD2' HD12 ' A' ' 11' ' ' ILE . 8.1 m-85 -79.28 -32.77 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -34.91 66.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 63.130000000000003 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.52 -18.99 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.329999999999998 110.869 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.66 -42.58 87.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 53.25 112.539 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -67.39 -39.7 91.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.219999999999999 112.445 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -17.7 56.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 73.209999999999994 110.915 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.6 OUTLIER -65.91 -48.95 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 75.010000000000005 110.884 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.9 tp -80.1 -26.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.430000000000007 111.137 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 34' ' ' GLY . 94.6 t -61.73 -45.72 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 33.32 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 10.8 t -51.45 -30.0 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.340000000000003 111.147 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.68 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 53.420000000000002 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -67.47 -49.18 64.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.210000000000001 111.08 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.9 mm-40 -54.24 -52.84 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 70.430000000000007 110.87 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.75 66.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -86.48 -179.53 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -164.96 -54.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 62.409999999999997 111.119 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -90.58 47.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.898 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' HG3' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -122.02 130.01 52.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 61.340000000000003 110.91 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -28.96 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.91 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.6 m -77.55 -31.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.120000000000005 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.27 -45.15 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.209999999999994 110.89 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -54.23 -48.92 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 72.319999999999993 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 52' ' ' LEU . 4.0 tt -72.3 -30.19 64.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 71.409999999999997 110.904 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -58.92 -46.23 88.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 65.140000000000001 110.902 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.3 mt -76.58 -43.03 40.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.030000000000001 110.877 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -55.12 -44.37 74.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 53.539999999999999 110.862 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.14 -31.38 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.319999999999993 110.893 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.54 -52.53 15.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.799 -0.715 . . . . 73.439999999999998 112.491 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.95 -21.12 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 61.030000000000001 110.88 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.63 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.6 m -50.72 -30.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.040000000000006 111.122 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 58' ' ' LYS . 15.7 mt -73.96 -44.02 56.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.9 -27.43 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 62.439999999999998 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.68 -47.87 24.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.105 -0.498 . . . . 74.450000000000003 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -55.38 -31.22 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 51.240000000000002 111.088 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.36 -22.58 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 110.886 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.95 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.409999999999997 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.694 HD11 HG12 ' A' ' 11' ' ' ILE . 2.8 pp -70.13 -33.71 72.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 110.908 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.439999999999998 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.19 -22.0 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -45.06 -37.26 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 65.530000000000001 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 23' ' ' TYR . 5.7 pt -50.56 -44.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 111.141 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -39.56 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.010000000000005 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.31 -29.01 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.219999999999999 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.852 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ptt? . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.805 0.336 . . . . 61.539999999999999 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.93 46.31 0.9 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.725 -0.75 . . . . 64.530000000000001 112.506 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 p -133.12 145.84 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.724 0.297 . . . . 74.430000000000007 111.183 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.476 HG22 ' CE2' ' A' ' 8' ' ' PHE . 50.2 mm -51.54 -41.41 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.239999999999995 111.132 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -30.0 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.889 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -33.26 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 110.896 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.07 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.5 m-85 -66.48 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -78.07 -33.09 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.129999999999995 110.815 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.33 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.040000000000006 111.107 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 30' ' ' PHE . 3.1 tp -50.55 -28.55 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.53 -45.34 73.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.88 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -29.24 70.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.879 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -67.7 -49.83 60.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 64.5 111.061 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -34.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 72.099999999999994 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.95 -25.53 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.420000000000002 110.94 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.11 -30.01 24.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 111.059 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 52.41 48.31 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.340000000000003 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.427 ' OD1' HD23 ' A' ' 72' ' ' LEU . 11.5 t30 63.21 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.430000000000007 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.99 -41.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.17 -19.6 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 33.32 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.96 -25.84 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 62.109999999999999 110.903 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HD21 ' A' ' 72' ' ' LEU . 42.8 p90 -53.28 -29.0 30.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 62.299999999999997 110.91 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -46.51 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.150000000000006 110.898 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.2 -26.05 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -63.25 -37.55 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 54.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' HG2' ' A' ' 65' ' ' GLU . 47.2 mt -72.22 -28.76 63.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 72.409999999999997 110.919 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -52.5 -40.64 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 60.329999999999998 110.878 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -27.5 65.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 64.549999999999997 110.862 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CE2' HD13 ' A' ' 11' ' ' ILE . 2.5 t80 -67.72 -46.5 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 61' ' ' LEU . 13.9 mt -63.46 -38.37 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -31.2 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.83 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.49 -27.0 55.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 73.439999999999998 112.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.23 -46.84 14.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 51.340000000000003 112.468 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.42 -17.86 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 73.319999999999993 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.69 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -65.05 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.877 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.753 HG22 ' O ' ' A' ' 34' ' ' GLY . 10.2 tt -79.31 -24.88 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 72.430000000000007 111.094 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG12 ' HG3' ' A' ' 42' ' ' GLU . 97.4 t -61.97 -43.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.142 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 36' ' ' MET . 9.1 t -51.32 -29.84 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.230000000000004 111.154 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.58 61.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.85 -45.09 45.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 111.082 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -58.22 -55.63 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 64.409999999999997 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -23.52 65.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 75.230000000000004 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -91.24 -178.64 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.87 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.57 -45.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.126 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -91.6 45.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 53.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.1 tp60 -124.75 133.04 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.885 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -78.03 -29.8 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.51 -32.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.129 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.52 -45.79 6.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.897 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -52.75 -48.63 66.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.95 -29.52 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.3 mp -58.34 -41.85 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.936 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 41' ' ' ALA . 9.2 mt -76.06 -47.09 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 64.329999999999998 110.935 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -57.26 -50.05 74.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 62.149999999999999 110.87 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.5 mtmp? -66.73 -21.54 66.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.862 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.716 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -66.13 -52.62 35.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 55.130000000000003 112.488 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -19.34 58.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.292 . . . . 70.140000000000001 110.85 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.06 -60.5 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.140000000000001 110.876 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' LYS . 26.9 m -50.86 -31.08 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.07 -53.9 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 64.319999999999993 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.96 -32.39 72.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -45.96 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 74.019999999999996 110.932 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.97 -30.62 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 61.549999999999997 111.1 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.639 ' HG2' HD13 ' A' ' 27' ' ' LEU . 9.0 mt-10 -75.56 -22.49 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.519999999999996 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -53.4 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.831 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.37 -36.45 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.92 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.69 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 111.105 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.8 mm-40 -80.47 -23.29 40.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.120000000000005 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -47.77 -51.73 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 70.099999999999994 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -35.27 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 111.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' CE1' ' A' ' 23' ' ' TYR . 16.5 mt -68.08 -49.45 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 64.510000000000005 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.86 -30.82 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.922 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.230000000000004 110.855 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 71.310000000000002 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.5 64.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 70.299999999999997 112.509 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 t -153.33 149.37 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 73.409999999999997 111.155 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.41 -39.9 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 111.125 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.81 -30.08 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 61.210000000000001 110.866 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -64.11 -33.65 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.049999999999997 110.807 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.18 79.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 52.420000000000002 111.121 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.573 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.2 m-85 -62.53 -32.25 73.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.918 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -78.14 -33.48 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 63.030000000000001 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.86 -26.14 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.430000000000007 111.06 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.3 tp -50.73 -28.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.010000000000005 111.144 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.71 -30.68 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.530000000000001 110.915 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -34.9 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.891 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.79 -51.62 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 30.329999999999998 111.103 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -73.77 -33.25 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.099999999999994 111.109 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -63.79 -22.24 66.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 73.040000000000006 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.68 -55.84 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 35.25 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.98 71.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.85 -168.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 75.430000000000007 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -131.67 67.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.872 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.53 -31.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 30.309999999999999 112.467 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -80.83 -25.07 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 74.349999999999994 110.85 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 71' ' ' ILE . 1.1 m-85 -51.74 -29.23 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -36.88 64.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 62.200000000000003 110.883 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.52 -25.5 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.040000000000006 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -76.14 -49.79 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 111.149 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 68' ' ' ALA . 12.8 mt -57.33 -28.59 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.897 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -30.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.340000000000003 110.903 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -42.07 89.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.826 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CD1' HD13 ' A' ' 11' ' ' ILE . 34.1 t80 -67.81 -41.63 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.549999999999997 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.55 -30.08 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.349999999999994 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -31.46 67.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 110.842 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.16 -40.84 33.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 74.209999999999994 112.524 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.16 -29.35 55.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.210000000000001 112.477 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.07 -17.4 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 72.409999999999997 110.847 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 mmt -68.7 -42.08 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 tt -79.83 -25.9 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 111.147 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 34' ' ' GLY . 87.4 t -73.99 -53.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 52.25 111.149 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -51.48 -30.01 18.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 111.119 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.12 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.510000000000005 111.073 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.74 -44.78 48.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 50.43 111.073 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.94 -55.81 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.439999999999998 110.897 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -25.34 64.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 64.230000000000004 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.79 -177.64 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.876 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.64 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 55.310000000000002 111.077 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.0 m -93.06 54.48 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 33.310000000000002 110.85 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.7 tp-100 -134.41 135.8 42.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.040000000000006 110.935 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.09 -30.81 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.509999999999998 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.0 m -77.72 -32.3 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 111.088 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -43.65 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.329999999999998 110.885 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.16 -49.2 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 55.119999999999997 110.878 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.229999999999997 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -57.8 -40.97 81.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.922 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.62 -51.29 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.98 -38.83 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.549999999999997 110.833 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 60' ' ' VAL . 16.0 mmtp -73.36 -33.05 64.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.430000000000007 110.891 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.527 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.41 -48.88 34.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.06 66.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.733 0.301 . . . . 74.140000000000001 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.02 -60.72 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.4 m -51.09 -30.61 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 54.420000000000002 111.16 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD11 ' HA3' ' A' ' 34' ' ' GLY . 3.6 mp -69.46 -52.82 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.200000000000003 110.896 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.4 -30.87 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 62.240000000000002 110.916 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -72.32 -51.01 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.61 -30.86 61.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.340000000000003 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.6 -21.78 55.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 74.150000000000006 110.838 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -58.6 -55.35 36.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.875 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.15 -41.3 74.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.540000000000006 110.882 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -62.62 -26.75 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 60.539999999999999 111.109 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mm-40 -79.75 -22.97 42.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 62.340000000000003 110.893 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -46.19 -51.94 13.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 73.209999999999994 110.897 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.748 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -50.96 -38.67 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 71.030000000000001 111.113 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.7 mt -69.96 -49.96 46.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.917 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.9 -29.49 65.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 110.86 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 75.230000000000004 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.94 54.29 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 40.420000000000002 112.478 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.8 p -133.48 147.13 51.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 72.230000000000004 111.142 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.55 -38.61 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 64.420000000000002 111.155 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.14 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 54.439999999999998 110.881 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.39 -32.67 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.049999999999997 110.849 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.11 -53.6 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 44.539999999999999 111.13 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -51.91 -32.48 32.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -64.69 -47.21 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 110.868 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.19 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 55.119999999999997 111.132 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.705 HD11 ' CG ' ' A' ' 30' ' ' PHE . 42.7 mm -51.61 -43.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 111.158 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.75 -40.04 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 63.100000000000001 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.07 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.209999999999994 110.84 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.89 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.229999999999997 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -36.68 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.420000000000002 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -63.27 -23.41 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.219999999999999 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -51.96 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 56.44 57.11 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 11.5 t30 -136.88 177.22 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 45.100000000000001 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -129.15 52.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 64.329999999999998 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.65 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.753 . . . . 43.149999999999999 112.469 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.27 -21.38 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 75.5 110.899 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -53.38 -31.45 44.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 110.936 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.9 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.439999999999998 110.858 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -35.2 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.883 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 71.200000000000003 111.069 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 68' ' ' ALA . 9.4 mt -58.39 -29.38 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -36.96 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.230000000000004 110.902 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -62.87 -34.03 76.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.530000000000001 110.877 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 13.8 t80 -76.64 -39.23 52.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.828 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.47 -30.24 64.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 63.509999999999998 110.944 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -26.85 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.099999999999994 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.11 -33.66 35.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.478 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.602 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.1 -29.38 55.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 51.140000000000001 112.53 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.56 -17.25 54.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.209999999999994 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' THR . 9.7 mtt -73.6 -29.03 62.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.859 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.693 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.6 tt -80.04 -25.07 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 111.11 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 42' ' ' GLU . 62.8 t -68.29 -41.74 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 36' ' ' MET . 6.2 t -50.85 -29.51 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.239999999999995 111.108 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.909 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.12 -38.0 61.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 73.230000000000004 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.65 -49.63 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.549999999999997 111.156 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 38' ' ' VAL . 40.2 mt-10 -53.54 -54.71 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.884 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -25.23 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 72.200000000000003 110.895 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -100.88 -175.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.48 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 63.130000000000003 111.094 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.35 54.01 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 110.889 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG2' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -122.43 140.48 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 75.340000000000003 110.932 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -70.35 -35.78 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.519999999999996 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 53' ' ' LEU . 29.4 m -75.33 -32.14 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 71.120000000000005 111.121 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.73 -34.92 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 110.877 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.13 -31.73 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.230000000000004 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.69 -34.1 52.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -59.47 -45.57 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 110.9 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.546 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.7 mt -71.04 -50.44 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 54.420000000000002 110.934 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -53.54 -50.38 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.846 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 60' ' ' VAL . 10.6 mtpp -75.24 -20.96 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 75.409999999999997 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.71 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -72.01 -53.59 9.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 73.430000000000007 112.468 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -18.57 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 70.019999999999996 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -76.71 -60.41 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 64.310000000000002 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 56' ' ' LYS . 34.5 m -50.92 -30.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.349999999999994 111.124 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.43 -53.94 24.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.400000000000006 110.875 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.64 -32.2 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 64.420000000000002 110.933 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -32.65 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 75.239999999999995 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.97 -29.23 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 62.340000000000003 111.113 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.63 -22.39 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -50.55 61.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.28 -31.99 69.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.340000000000003 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -64.69 -34.47 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.219999999999999 111.071 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.97 -21.74 40.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 42.439999999999998 110.862 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -44.9 -36.37 3.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 63.109999999999999 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.7 pt -50.6 -44.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.18 -41.31 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 64.450000000000003 110.87 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -30.62 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.329999999999998 110.893 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.885 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.776 0.322 . . . . 62.020000000000003 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.51 -64.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 61.109999999999999 112.466 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -151.58 147.44 26.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 63.219999999999999 111.166 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.526 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.7 mm -51.67 -43.6 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.106 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -52.08 -30.02 24.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 60.340000000000003 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.52 -37.34 85.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 72.010000000000005 110.864 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.34 89.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -65.77 -32.11 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.109999999999999 110.889 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.09 -33.46 50.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.33 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 31.210000000000001 111.119 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 67' ' ' LEU . 1.4 tt -50.59 -28.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 54.229999999999997 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.5 -33.93 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 74.129999999999995 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -34.04 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 110.885 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.82 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 43.229999999999997 111.083 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' LEU . 2.5 tt -66.14 -33.7 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.519999999999996 111.17 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.97 -23.8 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 53.149999999999999 110.898 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.58 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 111.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 63.25 62.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.882 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.42 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.400000000000006 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.99 -46.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.549999999999997 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.63 -28.79 4.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 50.310000000000002 112.499 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -21.88 41.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 65.329999999999998 110.879 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 71' ' ' ILE . 7.6 p90 -51.64 -28.69 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.908 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -37.38 65.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.239999999999995 110.921 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -23.32 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.39 46.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 111.104 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 30' ' ' PHE . 26.9 mt -56.71 -29.14 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.010000000000005 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -31.09 64.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.9 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -34.04 61.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.129999999999995 110.827 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HD2' HD23 ' A' ' 27' ' ' LEU . 12.2 m-85 -79.13 -36.32 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.109999999999999 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.95 -35.76 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 53.43 110.909 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.47 -18.9 62.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 53.039999999999999 110.87 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -38.61 93.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.754 . . . . 55.140000000000001 112.45 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -80.04 -29.24 47.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 70.230000000000004 112.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.35 -17.42 64.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 71.239999999999995 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 mmt -67.0 -45.37 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 61.210000000000001 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.7 tt -79.27 -25.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 65.209999999999994 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 34' ' ' GLY . 88.6 t -64.65 -52.99 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.136 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -53.14 -30.07 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.6 75.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 51.329999999999998 111.123 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.71 -38.06 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.17 -47.77 72.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 71.120000000000005 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -67.78 -25.43 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 110.915 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.72 -176.45 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.907 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.73 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 61.520000000000003 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -91.13 59.86 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 63.210000000000001 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.534 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.4 tp-100 -145.06 137.1 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 54.350000000000001 110.921 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -77.72 -31.85 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.150000000000006 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG22 ' HG3' ' A' ' 47' ' ' GLN . 26.3 m -77.3 -32.37 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 111.099 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.603 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.83 -38.18 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.891 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.47 -48.14 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -69.1 -31.47 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.150000000000006 110.93 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.56 -40.26 74.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 50.200000000000003 110.919 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.2 mt -76.28 -50.48 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.899 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -51.52 -44.02 62.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.530000000000001 110.883 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HD2' HD11 ' A' ' 52' ' ' LEU . 2.7 mttt -74.19 -28.84 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.010000000000005 110.935 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.28 14.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 75.239999999999995 112.47 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -22.52 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 74.5 110.922 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.57 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.239999999999995 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.06 -30.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.200000000000003 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.31 -42.24 88.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.239999999999995 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.6 -27.22 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -71.75 -51.04 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 110.924 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -30.68 60.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 54.420000000000002 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.31 -23.6 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 51.520000000000003 110.902 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -50.76 61.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 44.229999999999997 110.886 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.23 -32.89 70.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.884 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.1 -34.8 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 111.106 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.09 -21.58 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.917 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -44.89 -36.59 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.502 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.9 pt -50.36 -44.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 72.230000000000004 111.09 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -41.82 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.020000000000003 110.939 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -30.2 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 63.509999999999998 110.845 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 64.349999999999994 110.833 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtp . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.826 0.346 . . . . 54.340000000000003 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.06 61.0 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.487 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -136.71 151.45 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 45.229999999999997 111.109 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.71 -32.14 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.340000000000003 111.105 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.33 -29.88 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.876 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.08 -23.46 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 64.349999999999994 110.925 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.727 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.28 -54.15 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -51.64 -47.85 63.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.88 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.12 -35.74 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 70.049999999999997 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.22 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 30' ' ' PHE . 33.4 mm -66.96 -32.98 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 70.409999999999997 111.142 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -58.44 -35.28 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 70.120000000000005 110.857 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -40.84 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -52.57 -50.82 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.239999999999995 111.058 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -35.75 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 111.175 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -25.39 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 53.109999999999999 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.7 -46.57 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 44.109999999999999 111.083 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.7 mt-10 63.07 61.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 62.229999999999997 110.851 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 63.23 105.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 110.887 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -156.19 -44.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.89 -17.89 4.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.120000000000005 112.51 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.03 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 63.420000000000002 110.916 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.763 ' CE2' HD21 ' A' ' 72' ' ' LEU . 50.5 p90 -51.83 -39.62 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 70.340000000000003 110.931 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -54.25 32.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 74.150000000000006 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.3 -26.24 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 71.420000000000002 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -58.1 -49.53 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.9 mt -61.65 -38.43 87.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 71.049999999999997 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -51.74 -48.57 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.933 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -58.21 -29.36 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 110.866 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 62.0 t80 -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.901 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD23 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -57.72 -29.89 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.915 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.51 -20.51 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 51.450000000000003 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.42 -49.13 33.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 52.119999999999997 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.01 -34.15 61.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 72.219999999999999 112.461 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.97 -17.55 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 71.450000000000003 110.841 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . 3.7 mmt -63.4 -50.44 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 53' ' ' LEU . 13.7 tt -80.35 -26.14 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.439999999999998 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.5 t -64.04 -42.51 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.349999999999994 111.176 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 36' ' ' MET . 6.9 t -51.27 -29.71 15.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 111.179 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.09 -51.01 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.409999999999997 111.131 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -61.91 -32.57 72.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.219999999999999 111.063 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 38' ' ' VAL . 4.8 mt-10 -73.21 -35.27 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.16 12.81 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.96 -179.62 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 73.400000000000006 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.08 142.46 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 54.530000000000001 111.068 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t 52.04 36.27 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 72.150000000000006 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' HG22 ' A' ' 49' ' ' VAL . 16.5 tt0 -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.908 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -84.0 -29.62 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG22 ' HG2' ' A' ' 47' ' ' GLN . 9.0 m -78.92 -32.19 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 111.111 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.573 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -45.22 -37.54 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.099999999999994 110.875 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.75 -48.24 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.886 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 52' ' ' LEU . 6.1 tt -73.01 -30.36 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.37 -46.93 88.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.030000000000001 110.879 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 41' ' ' ALA . 8.1 mt -76.69 -31.63 57.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.933 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -67.2 -50.22 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 71.129999999999995 110.817 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.2 mttm -68.5 -37.99 80.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.349999999999994 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -64.84 -36.95 93.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 61.340000000000003 112.462 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -31.59 58.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 75.329999999999998 110.889 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -70.82 -59.01 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 61' ' ' LEU . 21.8 m -50.25 -31.54 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 111.144 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.0 mp -74.74 -38.31 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.209999999999994 110.946 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.33 -27.33 56.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 62.020000000000003 110.859 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -75.66 -45.86 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.200000000000003 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.56 59.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.530000000000001 111.08 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.72 -24.72 56.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 52.539999999999999 110.857 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -53.36 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.827 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.449 HD21 HG21 ' A' ' 11' ' ' ILE . 3.3 pp -70.38 -37.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 71.209999999999994 110.886 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -63.22 -26.83 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 60.100000000000001 111.102 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mm-40 -80.57 -23.3 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.91 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -47.69 -51.85 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.52 -35.23 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 72.420000000000002 111.106 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 ' CE2' ' A' ' 23' ' ' TYR . 17.2 mt -68.79 -50.83 47.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.140000000000001 110.916 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.53 -27.38 67.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 110.935 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.099999999999994 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.785 0.326 . . . . 74.530000000000001 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.55 65.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 43.210000000000001 112.507 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t -154.11 149.28 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 71.340000000000003 111.126 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.505 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.4 mm -51.66 -40.35 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 51.329999999999998 111.115 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.71 -30.02 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.899 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -32.81 74.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.349999999999994 110.865 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.29 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.439999999999998 111.123 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -70.94 -32.1 68.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -78.12 -33.3 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 61.399999999999999 110.887 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.29 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -50.62 -28.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.430000000000007 111.113 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.3 -33.69 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -28.93 59.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 110.893 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.87 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -62.72 -37.08 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.115 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -63.16 -23.53 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 35.039999999999999 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.32 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.329999999999998 111.121 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 52.55 47.75 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD12 ' A' ' 71' ' ' ILE . 6.5 t-20 -130.61 169.64 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 54.310000000000002 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.6 56.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.22 -61.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 55.210000000000001 112.473 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -21.8 40.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 73.230000000000004 110.87 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.53 -28.39 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 73.010000000000005 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -73.55 -37.96 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.69 -22.67 56.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.69 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 68' ' ' ALA . 32.2 mt -72.7 -28.68 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 63.240000000000002 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -51.57 -30.24 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.349999999999994 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -52.09 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.200000000000003 110.914 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HD2' HD23 ' A' ' 27' ' ' LEU . 8.6 m-85 -62.98 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.030000000000001 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 61' ' ' LEU . 1.1 mt -57.14 -33.96 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 65.510000000000005 110.962 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.21 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 62.310000000000002 110.858 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.57 90.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.530000000000001 112.496 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.8 -54.12 6.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 73.109999999999999 112.498 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -57.77 -23.04 50.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 40.219999999999999 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.627 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.66 -34.48 64.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.430000000000007 110.857 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CD1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.28 -26.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 65.450000000000003 111.123 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.88 -31.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 111.124 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 36' ' ' MET . 13.4 t -60.7 -31.43 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 63.020000000000003 111.156 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -49.27 77.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . . . -69.78 -29.07 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 111.086 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.72 -18.34 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 110.855 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -99.74 -18.71 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.42 -176.6 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 63.420000000000002 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.75 155.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 60.539999999999999 111.065 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.1 26.46 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 61.210000000000001 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -108.79 136.03 49.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 63.549999999999997 110.894 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -71.38 -32.66 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.150000000000006 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 47' ' ' GLN . 18.5 m -77.53 -30.82 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.123 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.49 -52.29 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.92 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -57.82 -27.44 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.349999999999994 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.7 tp -78.28 -35.47 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 65.120000000000005 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 37' ' ' ILE . 2.4 mm? -55.28 -48.55 73.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.049999999999997 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.34 -51.36 20.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.92 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -51.62 -43.69 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 60.310000000000002 110.858 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -74.26 -31.05 62.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 65.400000000000006 110.883 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.61 28.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 41.399999999999999 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -20.23 65.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 74.239999999999995 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -60.26 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 73.510000000000005 110.899 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.9 m -50.44 -30.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.08 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 31' ' ' LEU . 3.0 mp -67.62 -54.02 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.913 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.21 -30.02 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 110.888 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m0 -74.57 -46.05 41.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.299999999999997 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.33 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 111.109 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.08 -22.65 55.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 74.150000000000006 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -54.28 17.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.409999999999997 110.836 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.9 pp -70.18 -32.28 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.933 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.708 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.31 -35.01 79.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.116 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.98 -21.68 40.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.409999999999997 110.885 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -45.09 -36.44 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 110.909 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.5 pt -50.74 -44.41 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.319999999999993 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.95 -40.79 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.41 -30.09 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 62.210000000000001 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.510000000000005 110.887 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 70.430000000000007 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.22 19.22 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.477 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -136.58 146.37 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.737 0.303 . . . . 61.039999999999999 111.125 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.69 -40.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 53.439999999999998 111.131 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -29.97 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.88 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.24 -31.37 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.81 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -50.86 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 70.150000000000006 111.089 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.9 m-85 -65.72 -32.12 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.239999999999995 110.881 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -78.38 -34.76 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 110.846 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.95 -26.5 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 42.450000000000003 111.066 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CD1' ' A' ' 30' ' ' PHE . 6.5 tp -50.77 -28.38 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 70.150000000000006 111.13 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.31 -36.6 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 55.450000000000003 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -28.96 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.329999999999998 110.847 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -50.8 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -70.04 -33.69 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.129999999999995 111.176 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -60.81 -23.83 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.852 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.64 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 45.200000000000003 111.051 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 58.03 36.59 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 110.87 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 71' ' ' ILE . 17.0 t-20 -134.65 164.28 27.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.299999999999997 110.926 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -114.16 48.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.73 -66.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 74.439999999999998 112.481 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -81.81 -19.8 40.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 74.549999999999997 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 71' ' ' ILE . 1.6 p90 -49.22 -28.84 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 62.140000000000001 110.905 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -43.37 62.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.420000000000002 110.893 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.54 -23.37 53.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 64.200000000000003 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -33.43 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 72.120000000000005 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 68' ' ' ALA . 11.6 mt -72.14 -28.61 63.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 110.96 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -30.93 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 110.903 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -67.51 -40.92 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.865 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CD1' HD13 ' A' ' 11' ' ' ILE . 36.4 t80 -66.93 -42.49 85.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.862 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.13 -32.38 71.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 51.119999999999997 110.9 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.48 -37.41 53.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 74.019999999999996 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.689 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -57.43 -29.6 60.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.802 -0.714 . . . . 54.030000000000001 112.471 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.97 -17.43 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 71.040000000000006 110.93 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 mmt -68.55 -44.17 75.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 75.430000000000007 110.871 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 tt -80.03 -26.12 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 70.230000000000004 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 34' ' ' GLY . 89.1 t -73.63 -53.1 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.340000000000003 111.138 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -51.29 -29.96 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 111.113 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.83 64.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 41.119999999999997 111.093 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.57 -43.13 57.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 111.108 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.27 -55.19 36.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 71.140000000000001 110.906 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -25.29 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.329999999999998 110.934 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -90.85 -178.09 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.66 -38.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 111.107 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -96.66 54.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.400000000000006 110.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.576 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.8 tp-100 -136.17 136.86 40.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 73.099999999999994 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -79.01 -31.21 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.010000000000005 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.3 m -77.57 -32.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 63.119999999999997 111.125 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.38 -42.67 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.843 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -57.09 -49.52 75.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.520000000000003 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.71 -29.66 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 54.340000000000003 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -57.42 -42.35 82.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.229999999999997 110.922 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.55 -45.06 32.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 62.130000000000003 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -57.48 -48.41 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.888 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -72.17 -38.12 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 72.120000000000005 110.901 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.583 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -65.48 -35.93 91.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 74.239999999999995 112.523 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.01 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 71.129999999999995 110.88 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.95 -55.07 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.86 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -51.26 -31.37 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.519999999999996 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HA3' ' A' ' 34' ' ' GLY . 2.7 mp -67.75 -53.57 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 75.349999999999994 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.68 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.200000000000003 110.86 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -73.99 -40.53 62.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 65.230000000000004 110.958 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -54.76 -33.51 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 61.420000000000002 111.112 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.72 -22.95 56.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.310000000000002 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -52.66 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 110.822 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.1 pp -70.33 -32.54 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -63.93 -35.51 80.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 111.081 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.8 -21.45 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 60.32 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -44.85 -36.66 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.906 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 23' ' ' TYR . 6.3 pt -50.25 -44.25 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 61.409999999999997 111.154 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.11 -42.26 63.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.200000000000003 110.917 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.65 -31.58 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.239999999999995 110.868 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.030000000000001 110.845 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 74.439999999999998 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.64 68.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 74.409999999999997 112.503 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p -143.64 175.67 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 72.329999999999998 111.164 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.49 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 63.130000000000003 111.107 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.1 -42.05 97.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 43.149999999999999 110.823 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -26.49 49.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.420000000000002 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.44 -52.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 55.409999999999997 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -51.09 -32.48 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 71.400000000000006 110.88 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -68.01 -42.07 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.873 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.63 67.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 111.084 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 30' ' ' PHE . 41.4 mm -51.1 -47.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 75.129999999999995 111.137 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.89 -34.85 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 71.120000000000005 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -36.08 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.84 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . . . -57.72 -50.99 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.299999999999997 111.072 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -33.03 60.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 111.107 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.95 -23.77 34.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.240000000000002 110.957 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -46.67 53.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 73.409999999999997 111.097 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 59.94 20.68 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -174.16 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.530000000000001 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.28 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.878 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.76 -89.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 63.450000000000003 112.529 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -80.49 -20.03 44.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 53.219999999999999 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -48.45 -28.8 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 110.918 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -46.98 64.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.894 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.77 -25.99 56.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 71.140000000000001 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.594 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -67.02 -49.89 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 62.450000000000003 111.09 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.91 -35.52 80.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -41.87 75.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 63.310000000000002 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -25.9 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 64.439999999999998 110.853 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 1.3 t80 -69.48 -46.4 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.914 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.14 -40.66 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.140000000000001 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.58 -30.65 66.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.439999999999998 110.833 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.48 -35.83 28.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 73.329999999999998 112.466 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -57.91 -43.84 94.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.7 -0.762 . . . . 74.019999999999996 112.526 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.46 -27.8 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 74.540000000000006 110.891 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.693 ' O ' HG22 ' A' ' 39' ' ' THR . 72.1 mmm -55.91 -28.65 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 42.539999999999999 110.887 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.706 HG13 HD23 ' A' ' 53' ' ' LEU . 12.6 tt -80.08 -24.83 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.230000000000004 111.139 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.733 HG12 ' HG3' ' A' ' 42' ' ' GLU . 59.5 t -69.47 -40.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.114 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 36' ' ' MET . 6.0 t -50.74 -29.89 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 111.131 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.74 -39.06 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.093 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.8 -35.9 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.039999999999999 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.733 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -21.39 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 62.200000000000003 110.935 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -100.18 -176.18 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.12 137.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 53.229999999999997 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t 60.37 26.68 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 70.140000000000001 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -99.14 146.46 26.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 70.430000000000007 110.909 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -68.9 -37.33 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.530000000000001 110.879 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 53' ' ' LEU . 32.4 m -77.3 -32.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.519999999999996 111.135 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -35.7 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.510000000000005 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -75.23 -31.21 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.87 -32.66 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 64.129999999999995 110.922 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -62.9 -47.22 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 64.219999999999999 110.889 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' ALA . 13.5 mt -76.05 -43.25 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 61.439999999999998 110.916 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -60.74 -47.93 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 32.4 mmtp -74.33 -34.82 63.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -67.52 -35.23 86.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 34.409999999999997 112.51 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -32.03 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 74.540000000000006 110.892 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -70.05 -55.29 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.7 m -51.32 -31.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.420000000000002 111.134 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 30' ' ' PHE . 36.4 mt -74.51 -35.8 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 72.219999999999999 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -79.25 -29.16 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -75.63 -46.91 28.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.93 -31.75 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.219999999999999 111.087 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.05 -23.91 55.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -54.2 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.540000000000006 110.852 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 41.539999999999999 110.927 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.7 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 111.063 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.17 -21.45 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 65.519999999999996 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -44.8 -36.62 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 62.240000000000002 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.5 -44.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 73.450000000000003 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.71 63.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.922 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.85 -29.98 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 53.130000000000003 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 62.43 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.833 0.349 . . . . 75.120000000000005 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.84 148.95 4.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 74.219999999999999 112.498 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 t -150.72 148.24 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 61.200000000000003 111.18 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.1 mm -51.54 -42.74 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.200000000000003 111.148 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.37 -30.09 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 71.219999999999999 110.853 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.48 -35.92 82.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.16 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.219999999999999 111.095 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -73.22 -32.08 64.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 110.871 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -76.47 -31.87 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.329999999999998 110.855 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.76 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 62.549999999999997 111.134 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 67' ' ' LEU . 1.7 tp -51.64 -28.31 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.340000000000003 111.129 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.27 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 65.319999999999993 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -28.7 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.210000000000001 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.71 -50.75 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 51.130000000000003 111.054 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 67' ' ' LEU . 1.3 tt -68.31 -36.89 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.420000000000002 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.27 -23.31 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 70.430000000000007 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HB1' ' HG2' ' A' ' 20' ' ' GLU . . . -64.69 -56.56 12.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 53.240000000000002 111.121 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 62.88 15.59 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 63.450000000000003 110.9 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 176.92 88.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.450000000000003 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.551 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 57.7 mm-40 -155.9 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.49 7.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.200000000000003 112.513 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -60.36 -18.19 48.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 74.439999999999998 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 16.9 p90 -45.86 -32.21 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.340000000000003 110.918 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -45.43 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 71.409999999999997 110.885 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.47 -30.39 57.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.87 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.120000000000005 111.072 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD13 ' OE1' ' A' ' 65' ' ' GLU . 26.5 mt -52.98 -28.74 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 65.239999999999995 110.906 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -61.35 -32.79 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 63.299999999999997 110.929 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -37.89 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.549999999999997 110.84 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 11' ' ' ILE . 16.3 m-85 -72.02 -40.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -37.38 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.409999999999997 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -19.29 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.36 -40.78 91.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 54.520000000000003 112.51 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.88 -38.8 35.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 75.319999999999993 112.446 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' A' ' 61' ' ' LEU . 2.4 mm-40 -62.25 -17.23 57.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 64.120000000000005 110.876 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -65.1 -48.51 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.310000000000002 110.909 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 34' ' ' GLY . 12.3 tt -55.52 -25.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.310000000000002 111.093 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 42' ' ' GLU . 45.2 t -56.41 -39.51 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.099999999999994 111.117 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 36' ' ' MET . 6.8 t -51.62 -30.31 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.46 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.409999999999997 111.078 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.62 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.77 -45.97 40.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 62.32 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.1 mt-10 -56.37 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.539999999999999 110.878 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -25.09 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.200000000000003 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -91.49 -176.51 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 64.319999999999993 110.863 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.5 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 111.098 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -94.59 49.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 54.039999999999999 110.839 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.577 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp-100 -126.01 136.47 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.888 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -79.19 -30.8 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' HG3' ' A' ' 47' ' ' GLN . 28.9 m -77.85 -32.78 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 64.319999999999993 111.145 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.58 -45.32 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.450000000000003 110.894 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -53.42 -48.92 68.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.843 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.42 -29.64 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.32 -42.57 87.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 41' ' ' ALA . 7.3 mt -76.42 -50.33 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.450000000000003 110.893 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -55.14 -41.18 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.813 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -68.7 -32.58 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.934 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.15 -52.58 22.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 62.329999999999998 112.499 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -22.14 65.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.349999999999994 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -60.64 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.9 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -51.14 -30.87 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.149999999999999 111.156 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 57' ' ' GLY . 5.3 mp -62.75 -47.39 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 110.921 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -79.63 -30.02 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -69.88 -45.79 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 62.130000000000003 110.904 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.54 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.219999999999999 111.081 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE1' HD13 ' A' ' 27' ' ' LEU . 2.4 mt-10 -76.0 -22.58 55.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 71.510000000000005 110.902 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -52.68 27.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 52.119999999999997 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 11' ' ' ILE . 1.8 pp -70.12 -32.59 70.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 73.319999999999993 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.15 -36.09 82.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 35.140000000000001 111.124 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE1' HD13 ' A' ' 72' ' ' LEU . 5.4 mm-40 -81.44 -22.44 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 73.099999999999994 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -35.94 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 110.942 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.6 pt -50.93 -44.17 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 73.019999999999996 111.102 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -73.47 -40.0 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.219999999999999 110.948 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.8 -30.81 46.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.874 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.519999999999996 110.861 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 73.409999999999997 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.77 90.32 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 63.020000000000003 112.477 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 p -129.2 145.71 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 53.439999999999998 111.164 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.504 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.8 mm -51.67 -42.7 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 111.135 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.45 -30.0 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 52.450000000000003 110.88 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.81 -34.48 77.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.832 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.8 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.091 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.2 m-85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.109999999999999 110.863 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -78.28 -33.26 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.845 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.74 -26.21 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 30.140000000000001 111.126 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' CD1' ' A' ' 30' ' ' PHE . 4.3 tp -50.69 -28.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.095 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.44 -33.29 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 52.399999999999999 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -29.04 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.219999999999999 110.889 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -47.83 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.07 -33.64 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.162 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.79 -24.99 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.230000000000004 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -51.5 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 111.085 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 71' ' ' ILE . 2.9 mt-10 61.05 57.05 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.894 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 63.25 96.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.140000000000001 110.909 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -157.77 -48.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 110.919 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.5 2.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 75.219999999999999 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -26.0 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 74.549999999999997 110.857 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -52.02 -31.97 32.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.978 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -47.27 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.841 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -74.97 -25.63 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 110.902 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.6 89.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 51.32 111.106 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.0 mt -64.99 -28.69 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.439999999999998 110.938 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -46.05 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 71.409999999999997 110.904 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.14 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.439999999999998 110.889 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' HD13 ' A' ' 11' ' ' ILE . 12.4 t80 -77.51 -41.74 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.908 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.35 -31.07 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.927 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -28.01 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.876 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.59 -44.64 12.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 71.519999999999996 112.449 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.24 -29.02 55.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 74.530000000000001 112.516 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -77.83 -17.18 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 71.439999999999998 110.846 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 4' ' ' ILE . 2.5 mmt -72.09 -39.95 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 110.854 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 tt -79.33 -26.06 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 111.147 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 34' ' ' GLY . 96.9 t -72.22 -51.05 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 111.159 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -51.33 -30.18 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 111.115 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.2 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.540000000000006 111.112 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -69.62 -30.98 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 34.520000000000003 111.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mt-10 -76.28 -33.98 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.150000000000006 110.865 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -86.09 -24.22 26.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -85.97 -176.65 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 52.539999999999999 110.898 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.57 149.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 111.107 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 27.66 15.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 72.030000000000001 110.836 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 139.33 43.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.927 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -74.36 -33.46 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.540000000000006 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.62 -36.19 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 63.210000000000001 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.578 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.63 -41.83 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.540000000000006 110.855 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.9 -47.97 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.140000000000001 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -69.82 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.943 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.54 -41.51 76.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 71.129999999999995 110.927 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.52 -51.33 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.95 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 25.4 t-80 -52.35 -45.06 65.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 110.85 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.6 mmtt -75.76 -21.12 57.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.941 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.36 -53.95 12.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 71.329999999999998 112.514 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.68 -19.42 57.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 63.450000000000003 110.906 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -75.13 -60.62 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 56' ' ' LYS . 31.3 m -51.8 -30.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.540000000000006 111.117 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 58' ' ' LYS . 40.0 mt -69.04 -52.72 25.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.78 -31.2 70.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.109999999999999 110.855 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -75.65 -38.69 58.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.299999999999997 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -62.86 -29.29 70.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.519999999999996 111.094 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.69 -22.52 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.299999999999997 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.53 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 73.549999999999997 110.813 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.33 -32.77 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 110.864 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 111.104 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.06 -21.72 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 45.020000000000003 110.836 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -44.87 -36.57 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.340000000000003 110.876 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.43 -44.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 111.126 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 63.549999999999997 110.947 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.04 -31.05 28.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.839 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.818 0.342 . . . . 61.25 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.73 66.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 63.020000000000003 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -134.79 148.19 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.322 . . . . 62.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.66 -38.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 111.117 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -30.23 45.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.109999999999999 110.841 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.76 -30.87 71.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 110.825 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -66.35 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 60.5 111.091 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.9 m-85 -66.12 -32.09 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.519999999999996 110.955 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -78.14 -33.66 50.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 65.230000000000004 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.21 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 111.087 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 8' ' ' PHE . 6.1 tp -50.69 -28.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 63.520000000000003 111.135 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -37.57 81.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 61.549999999999997 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -28.92 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.862 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -50.71 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -71.26 -33.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 111.076 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.92 -22.95 66.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.32 110.947 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.74 38.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.09 108.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.35 87.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 74.200000000000003 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -162.57 -177.9 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 7.28 3.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 71.030000000000001 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -20.57 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 72.200000000000003 110.897 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 15.9 p90 -48.27 -30.32 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 110.95 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.89 -45.8 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 75.439999999999998 110.845 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -26.54 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 54.520000000000003 110.878 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -41.55 57.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.23 -28.77 65.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 62.030000000000001 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -51.72 -45.68 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.893 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -60.72 -28.43 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.430000000000007 110.84 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 18.9 t80 -77.94 -40.73 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 61' ' ' LEU . 3.5 mm? -59.82 -30.22 68.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.926 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -24.98 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.825 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -51.44 6.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 52.219999999999999 112.506 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -55.23 -32.25 57.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 51.130000000000003 112.473 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.93 -23.26 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 64.530000000000001 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.689 ' O ' HG22 ' A' ' 39' ' ' THR . 2.5 mmm -73.65 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.310000000000002 110.842 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -26.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.540000000000006 111.132 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 34' ' ' GLY . 91.2 t -66.59 -38.8 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.096 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -51.28 -29.61 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.102 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -37.5 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 60.310000000000002 111.105 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.78 -45.16 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 53.119999999999997 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.6 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.859 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -22.6 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.030000000000001 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -91.08 -178.83 5.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.935 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.65 -50.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 53.100000000000001 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.89 48.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.852 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.3 tp60 -125.65 132.46 52.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 71.549999999999997 110.886 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -78.52 -29.36 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.61 -31.9 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 111.113 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.528 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -46.06 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.519999999999996 110.852 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -52.53 -48.46 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.109999999999999 110.901 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.0 -29.53 62.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 64.430000000000007 110.929 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.75 -42.58 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.86 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.8 mt -76.49 -51.17 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.88 -39.88 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 110.855 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.63 ' O ' HG13 ' A' ' 60' ' ' VAL . 15.0 mmtt -68.98 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 72.340000000000003 110.893 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.62 -52.41 25.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.717 . . . . 65.230000000000004 112.525 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -24.23 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 75.140000000000001 110.942 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -79.22 -60.83 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 56' ' ' LYS . 21.8 m -51.25 -30.37 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 111.109 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 31' ' ' LEU . 46.1 mt -73.62 -37.12 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.129999999999995 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.87 -32.09 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.871 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -75.67 -41.59 53.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.400000000000006 110.96 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.74 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 65.310000000000002 111.094 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.02 -24.68 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 74.019999999999996 110.887 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -54.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.22 -32.94 71.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.48 78.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.099 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.9 -21.77 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.95 -36.87 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 73.200000000000003 110.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.9 pt -50.38 -44.22 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 70.219999999999999 111.196 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.07 -40.8 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 110.924 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -30.48 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.898 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.825 0.345 . . . . 74.030000000000001 110.858 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.65 54.36 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 72.239999999999995 112.46 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p -138.49 152.33 48.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 75.129999999999995 111.146 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.45 -30.92 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 64.209999999999994 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -30.03 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.010000000000005 110.88 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.47 -23.65 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 53.299999999999997 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.07 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 63.530000000000001 111.118 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -50.81 -47.92 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.93 -34.99 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 110.876 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -33.8 67.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 111.061 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.637 HD11 ' CD1' ' A' ' 30' ' ' PHE . 37.5 mm -53.18 -47.28 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 111.129 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -28.94 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 42.119999999999997 110.849 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.08 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 63.030000000000001 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.040000000000006 111.138 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.23 -45.46 76.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 53.310000000000002 111.104 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.2 mt-10 63.56 35.2 11.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.010000000000005 110.872 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' O ' HD13 ' A' ' 71' ' ' ILE . 55.9 t30 -141.23 160.32 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 71.439999999999998 110.871 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -117.53 110.7 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 63.509999999999998 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.84 -115.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 75.530000000000001 112.496 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -65.66 -22.06 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 75.310000000000002 110.863 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -51.35 -30.61 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 110.891 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 71.510000000000005 110.854 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.18 -31.41 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.010000000000005 110.878 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.68 62.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.310000000000002 111.116 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' ALA . 7.2 mt -53.35 -36.69 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 54.32 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -52.97 -28.83 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.891 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -37.35 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.019999999999996 110.893 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CD1' HD11 ' A' ' 11' ' ' ILE . 51.7 t80 -61.45 -47.34 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.83 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.75 -36.63 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 55.340000000000003 110.957 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -49.87 -49.26 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.430000000000007 110.849 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.95 74.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 61.039999999999999 112.509 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.36 -29.21 56.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 51.530000000000001 112.471 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.97 -23.04 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 75.019999999999996 110.903 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.3 mmt -72.72 -28.07 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.209999999999994 110.927 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 57' ' ' GLY . 3.9 tp -71.03 -27.25 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.123 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.85 -54.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 70.040000000000006 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -49.18 -45.1 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 111.161 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.319999999999993 111.121 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.735 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.97 -49.93 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 111.103 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.24 -54.12 44.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 110.932 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -28.61 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.120000000000005 110.856 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -99.86 -169.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.16 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -94.02 40.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 61.509999999999998 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' CG ' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -123.35 137.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.340000000000003 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -35.26 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.010000000000005 110.892 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 47' ' ' GLN . 18.1 m -75.59 -30.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 75.230000000000004 111.127 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -51.28 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 62.340000000000003 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.4 -27.47 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.33 -30.0 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.913 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 40' ' ' ALA . 80.0 mt -59.72 -46.3 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.938 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD11 ' HB1' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -76.16 -41.45 49.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.430000000000007 110.915 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -51.41 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.834 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 60' ' ' VAL . 4.9 mtmp? -75.9 -34.06 59.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.200000000000003 110.905 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -63.32 -40.77 99.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.761 . . . . 54.409999999999997 112.496 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.39 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 73.409999999999997 110.857 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.58 -56.41 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 65.329999999999998 110.881 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 56' ' ' LYS . 32.6 m -52.03 -31.57 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 53.240000000000002 111.13 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.31 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 71.340000000000003 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.32 -32.63 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -76.09 -47.37 24.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 64.25 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.66 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.43 111.061 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -76.65 -32.23 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.040000000000006 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -55.47 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD11 ' CG2' ' A' ' 11' ' ' ILE . 3.6 pp -70.41 -38.64 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.329999999999998 110.954 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.16 -26.9 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 61.520000000000003 111.085 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.69 -23.42 39.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.88 -51.74 21.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.74 -35.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.129999999999995 111.124 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 71' ' ' ILE . 13.1 mt -71.09 -48.21 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.099999999999994 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -58.37 -29.11 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 62.240000000000002 110.937 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 65.430000000000007 110.836 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 63.340000000000003 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.79 67.55 0.41 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 70.5 112.547 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -156.2 148.37 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 75.439999999999998 111.15 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.2 mm -51.55 -43.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 60.43 111.137 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.85 -30.13 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.839 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.71 -36.75 81.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.209999999999994 110.808 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.27 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 111.077 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -61.14 -32.09 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.439999999999998 110.884 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -78.13 -33.5 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 51.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.56 57.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 111.069 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.661 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.2 tp -50.74 -28.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 62.210000000000001 111.173 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -30.56 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.855 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.56 -51.3 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 63.25 111.087 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -74.17 -33.28 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 64.530000000000001 111.117 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -62.64 -23.25 66.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -59.41 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.109999999999999 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 43.75 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 70.040000000000006 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -91.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.340000000000003 110.867 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 172.2 104.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 64.340000000000003 110.883 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.97 -37.94 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 74.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -27.91 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 62.409999999999997 110.87 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 71' ' ' ILE . 9.5 m-85 -57.4 -28.78 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.873 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -55.73 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 75.420000000000002 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -22.5 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -75.6 -49.89 17.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 71.540000000000006 111.091 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -57.99 -28.28 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 54.439999999999998 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -50.29 -31.48 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 64.140000000000001 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -43.37 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 110.874 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CD1' HD13 ' A' ' 11' ' ' ILE . 23.3 t80 -66.34 -41.77 89.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -30.15 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 64.120000000000005 110.911 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.67 -45.03 72.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 74.310000000000002 110.837 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.26 89.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 60.130000000000003 112.506 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -54.31 -37.36 59.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 71.140000000000001 112.489 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.29 -17.86 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 64.219999999999999 110.907 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.0 mmm -70.48 -29.08 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 64.519999999999996 110.816 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.671 HG13 HD23 ' A' ' 53' ' ' LEU . 8.5 tt -79.77 -25.22 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.019999999999996 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.767 HG12 ' HG3' ' A' ' 42' ' ' GLU . 48.4 t -75.02 -49.98 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -50.47 -30.66 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.11 67.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.091 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.91 -50.84 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.150000000000006 111.088 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.767 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mm-40 -55.15 -53.1 60.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 62.329999999999998 110.882 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -61.57 -25.33 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 73.310000000000002 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -91.79 -177.55 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.230000000000004 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.61 140.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.140000000000001 111.086 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t 63.36 25.93 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 54.450000000000003 110.866 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 139.94 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.409999999999997 110.953 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -69.81 -34.47 73.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.22 -31.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 70.319999999999993 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.52 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -51.38 -34.9 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 65.040000000000006 110.867 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.16 -34.37 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.898 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -30.27 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.671 HD23 HG13 ' A' ' 37' ' ' ILE . 1.3 mt -63.15 -45.21 92.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 73.209999999999994 110.923 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.09 -30.18 58.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.450000000000003 110.899 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 45.100000000000001 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.0 mmtm -70.57 -27.95 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.299999999999997 110.894 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.85 -52.45 24.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 53.109999999999999 112.465 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.17 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 65.329999999999998 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.08 -60.68 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.340000000000003 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LYS . 22.3 m -51.23 -30.46 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.085 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.75 -48.65 45.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.409999999999997 110.952 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.2 -27.18 64.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -55.09 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 75.319999999999993 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.53 -29.77 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 111.101 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -22.27 54.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.420000000000002 110.898 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -55.08 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.430000000000007 110.889 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.11 -40.94 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 60.520000000000003 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 67' ' ' LEU . . . -62.91 -26.98 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 51.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 -80.01 -23.15 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.510000000000005 110.874 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -46.45 -51.83 14.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -51.24 -38.16 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.209999999999994 111.107 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 69' ' ' GLU . 7.5 mt -72.12 -41.75 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 60.520000000000003 110.941 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.23 -30.39 70.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.230000000000004 110.888 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 71.430000000000007 110.907 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.836 0.351 . . . . 64.409999999999997 110.897 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.4 178.03 39.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.209999999999994 112.478 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -133.49 148.63 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.289 . . . . 71.150000000000006 111.181 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.47 -36.78 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 71.010000000000005 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -52.78 -30.11 31.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.875 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.1 -32.71 73.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.858 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.82 -53.45 26.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.140000000000001 111.107 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.71 -41.38 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.420000000000002 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -57.85 -33.5 68.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.52 -39.18 58.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 111.081 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 67' ' ' LEU . 60.4 mt -51.19 -49.65 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.097 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -51.75 -38.11 54.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -28.73 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.831 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.66 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 45.119999999999997 111.122 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -60.15 -32.71 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.150000000000006 111.142 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -22.92 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . . . -47.92 -47.54 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 64.099999999999994 111.113 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 59.83 63.11 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.319999999999993 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -178.24 -172.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 110.875 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.56 105.44 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 64.420000000000002 110.88 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.86 -62.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 73.25 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -22.16 39.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 65.420000000000002 110.859 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 71' ' ' ILE . 19.4 m-85 -50.6 -49.71 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 110.867 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -51.88 -39.52 59.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 63.119999999999997 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -43.98 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 70.340000000000003 110.841 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.8 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.061 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' HG2' ' A' ' 65' ' ' GLU . 40.6 mt -58.11 -30.59 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.140000000000001 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -27.33 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.894 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -45.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.409999999999997 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 17.8 m-85 -59.24 -44.94 92.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' A' ' 61' ' ' LEU . 1.2 mp -58.31 -36.64 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 34.43 110.947 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.37 -33.76 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.240000000000002 110.863 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.35 -46.35 34.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 62.450000000000003 112.498 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA3' HD21 ' A' ' 61' ' ' LEU . . . -55.92 -33.98 61.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 43.140000000000001 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.63 -17.48 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 54.409999999999997 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.14 -39.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 74.150000000000006 110.858 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 34' ' ' GLY . 9.6 tp -79.65 -24.98 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.25 -53.4 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.299999999999997 111.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.83 -38.0 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 111.109 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.42 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 64.310000000000002 111.074 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.69 -46.76 35.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.109 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.66 -52.48 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.74 -25.3 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.27 -177.31 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.875 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.05 -44.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 42.5 111.126 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 t -91.56 45.89 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.400000000000006 110.874 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.5 tp60 -126.11 130.74 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -29.94 56.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.9 m -77.51 -31.94 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.539999999999999 111.141 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.24 -43.68 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.885 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -57.26 -49.59 75.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 110.906 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.28 -29.81 66.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 64.409999999999997 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -59.05 -46.84 87.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 110.964 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 41' ' ' ALA . 1.4 mt -76.31 -40.14 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 60.420000000000002 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.27 -49.71 76.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.399999999999999 110.854 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.633 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.7 mtmt -74.21 -32.41 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.663 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -69.26 -35.06 76.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 44.340000000000003 112.445 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -32.55 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.707 0.289 . . . . 71.049999999999997 110.85 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.05 -60.59 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.129999999999995 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.1 p -51.19 -30.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.12 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.806 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.1 mm? -62.98 -46.2 88.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.509999999999998 110.929 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.29 -26.92 35.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -67.53 -52.81 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.909 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' HD13 ' A' ' 11' ' ' ILE . . . -55.18 -31.22 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.019999999999996 111.118 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.606 ' HG2' HD22 ' A' ' 27' ' ' LEU . 4.9 mt-10 -76.86 -21.84 54.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.857 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.5 -54.26 47.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.099999999999994 110.837 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.458 HD13 ' HB ' ' A' ' 15' ' ' ILE . 3.8 pp -69.25 -40.88 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 70.439999999999998 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.74 -26.6 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 65.200000000000003 111.132 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 mm-40 -80.35 -23.79 40.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 110.877 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -46.31 -51.66 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.907 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.664 HG21 ' CZ ' ' A' ' 23' ' ' TYR . 1.5 pp -52.3 -39.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.209999999999994 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.9 mt -67.98 -47.98 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 43.340000000000003 110.929 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.7 -29.44 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.040000000000006 110.878 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 64.030000000000001 110.894 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.88 0.372 . . . . 50.119999999999997 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.01 67.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 72.5 112.459 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -156.17 148.49 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 64.409999999999997 111.12 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 8' ' ' PHE . 47.9 mm -51.94 -43.25 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.122 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.89 -30.04 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.72 -35.79 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -65.65 -52.97 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.567 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.3 m-85 -53.99 -32.05 52.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -76.17 -30.94 58.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.854 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.31 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 111.079 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -50.64 -28.52 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.420000000000002 111.104 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.84 -32.64 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -34.97 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.120000000000005 110.88 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -50.83 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.409999999999997 111.098 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -68.94 -32.97 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 70.140000000000001 111.133 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.38 -23.58 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.409999999999997 110.903 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.38 -40.6 36.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 62.450000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 61.23 20.71 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -178.5 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.886 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.45 91.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.25 -80.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 43.030000000000001 112.47 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -20.33 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 71.25 110.862 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -50.67 -28.32 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.943 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -39.1 64.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 74.519999999999996 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.409999999999997 110.876 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . . . -63.17 -49.99 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 41.009999999999998 111.099 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -34.12 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.919 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -78.34 -43.52 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 63.229999999999997 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' A' ' 11' ' ' ILE . 6.5 m-85 -61.68 -44.28 97.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.010000000000005 110.859 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 ' HA ' HD22 ' A' ' 61' ' ' LEU . 2.1 mp -60.87 -33.18 72.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 63.210000000000001 110.947 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -71.56 -42.22 68.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.030000000000001 110.818 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.68 94.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 72.540000000000006 112.477 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -60.39 -29.27 68.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 61.340000000000003 112.497 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.92 -17.2 53.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 62.530000000000001 110.905 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -38.44 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 72.519999999999996 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.497 HD11 ' HG ' ' A' ' 53' ' ' LEU . 12.5 tt -77.05 -25.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.230000000000004 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.2 t -64.53 -53.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 62.310000000000002 111.141 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -54.69 -30.08 54.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 75.120000000000005 111.146 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.92 77.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 64.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -73.21 -37.18 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.14 -50.46 63.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 62.509999999999998 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -25.35 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.400000000000006 110.927 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.29 -177.3 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.420000000000002 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -172.24 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -85.98 53.37 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.896 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.6 tp60 -141.75 136.26 30.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.409999999999997 110.94 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -31.73 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 110.849 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.2 m -77.11 -31.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 111.136 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.675 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -42.71 -37.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.932 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -67.43 -50.37 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.310000000000002 110.898 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.37 -29.32 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.985 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.310000000000002 110.909 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -75.77 -47.2 26.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.230000000000004 110.93 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.81 -50.21 69.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.210000000000001 110.846 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.608 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.4 mtpm? -76.0 -20.97 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.56 -53.03 8.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 62.450000000000003 112.51 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.15 -18.31 60.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 55.0 110.928 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -60.82 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 54.310000000000002 110.877 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 56' ' ' LYS . 20.2 m -51.57 -30.72 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.030000000000001 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.701 HD11 ' HA3' ' A' ' 34' ' ' GLY . 30.6 mt -73.98 -36.68 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.450000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -30.93 46.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 75.010000000000005 110.873 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -75.8 -36.4 59.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.420000000000002 110.919 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -64.47 -29.88 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.178 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.4 -22.54 54.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 110.858 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -56.1 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 71.519999999999996 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.7 pp -70.16 -30.76 67.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.420000000000002 110.931 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.17 80.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.340000000000003 111.095 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.1 -21.47 39.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.87 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -44.79 -36.56 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 51.219999999999999 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -41.87 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 110.928 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -60.33 -27.72 67.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 70.230000000000004 110.888 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.842 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 71.319999999999993 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.54 87.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 71.329999999999998 112.512 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -172.14 160.16 5.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 72.319999999999993 111.183 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -26.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.140000000000001 111.127 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.54 -35.12 78.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 110.863 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.1 -38.11 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.867 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.14 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 41.310000000000002 111.111 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.6 ' O ' HG22 ' A' ' 11' ' ' ILE . 21.7 m-85 -60.21 -31.99 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -78.19 -34.96 49.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.17 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 60.109999999999999 111.111 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 HD11 ' A' ' 67' ' ' LEU . 2.9 tt -50.62 -28.4 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 111.141 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.88 -37.66 79.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.93 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -29.06 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.886 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.94 66.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.409999999999997 111.142 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -64.35 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 111.135 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.96 -23.55 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.872 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.36 -43.93 61.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 63.030000000000001 111.084 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 51.98 54.45 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 110.88 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' HD12 ' A' ' 71' ' ' ILE . 25.8 t30 -126.93 175.72 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 110.918 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -134.3 38.09 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.888 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.53 -53.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 60.240000000000002 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -81.35 -21.39 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.881 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.8 p90 -53.36 -31.93 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 54.310000000000002 110.965 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.71 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.895 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -33.79 60.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.83 87.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 41.539999999999999 111.122 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 30' ' ' PHE . 18.6 mt -60.4 -28.57 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.892 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -51.53 -34.9 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.210000000000001 110.931 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -72.67 -33.76 66.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.848 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 25.5 m-85 -76.95 -38.37 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.841 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HA ' HD11 ' A' ' 61' ' ' LEU . 3.3 mp -53.83 -40.51 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.340000000000003 110.895 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -71.77 -22.09 61.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.8 60.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 71.140000000000001 112.493 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.711 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -73.1 -56.55 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 64.129999999999995 112.502 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.0 -24.82 7.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 74.120000000000005 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.688 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -58.51 -28.86 65.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.540000000000006 110.85 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 34' ' ' GLY . 13.4 tt -79.32 -25.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 60.399999999999999 111.125 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG12 ' HG3' ' A' ' 42' ' ' GLU . 92.1 t -61.73 -43.89 97.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 111.129 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 36' ' ' MET . 8.6 t -51.26 -29.76 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 63.310000000000002 111.125 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.83 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.77 -28.55 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 61.420000000000002 111.109 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.644 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.0 mm-40 -79.29 -23.82 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.881 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.34 -24.13 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -100.89 -175.03 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -174.38 155.03 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 35.439999999999998 111.078 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t 63.24 34.4 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.040000000000006 110.87 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.45 146.31 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.310000000000002 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -78.72 -33.65 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -78.05 -36.74 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 111.102 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -43.63 -44.73 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.310000000000002 110.88 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -53.57 -48.55 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.140000000000001 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.93 -29.72 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 75.420000000000002 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -59.93 -43.8 94.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.450000000000003 110.954 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.64 -43.25 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.150000000000006 110.932 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.76 -49.13 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.846 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.91 -36.15 75.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 60.020000000000003 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.559 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -52.52 -49.78 50.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 42.240000000000002 112.485 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -29.86 57.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.748 0.309 . . . . 62.240000000000002 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -65.6 -60.71 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 51.520000000000003 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.7 m -51.38 -30.58 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 54.219999999999999 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' GLY . 2.4 mm? -69.1 -52.87 23.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.909 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.93 -27.84 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -75.82 -50.95 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.43 110.93 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.23 60.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.120000000000005 111.073 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.19 -22.55 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 63.130000000000003 110.877 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -53.62 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.120000000000005 110.867 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.2 -32.74 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 70.109999999999999 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.74 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.010000000000005 111.132 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.03 -21.76 39.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.530000000000001 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.87 -36.34 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.958 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.7 pt -50.37 -44.41 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.21 -41.83 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 55.109999999999999 110.942 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.68 32.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 110.871 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.409999999999997 110.851 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.309 . . . . 51.33 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.542 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.9 mm -51.51 -41.52 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 65.21 111.138 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.01 -30.08 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.864 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.86 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 53.02 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.26 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 61.02 111.09 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.7 m-85 -71.56 -32.11 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.891 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -76.92 -31.59 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 75.31 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.5 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 tp -50.95 -28.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.112 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -62.27 -39.73 93.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -28.76 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.868 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.34 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 72.2 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -36.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 70.24 111.133 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -63.33 -23.41 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 23' ' ' TYR . . . -60.58 -55.72 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 54.43 111.104 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 71' ' ' ILE . 3.5 mt-10 60.16 55.06 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -161.08 175.83 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 72' ' ' LEU . 56.5 mt-10 -114.56 106.78 14.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.53 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.83 -139.69 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.502 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -58.55 -19.86 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 71.23 110.835 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 17' ' ' ALA . 44.0 m-85 -48.58 -28.64 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 65.22 110.907 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -66.78 -45.25 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.82 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.71 -22.4 53.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.15 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.97 82.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 50.31 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.7 mt -57.29 -36.66 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -36.15 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.939 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.48 -38.96 91.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 64.32 110.902 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -68.06 -42.66 80.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 61' ' ' LEU . 2.5 mt -58.58 -30.18 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.835 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.52 72.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 73.43 112.458 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.753 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -55.95 -29.5 55.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 33.21 112.502 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.47 -17.7 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 70.05 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 mmt -70.57 -35.81 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.842 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.71 ' CG1' HD23 ' A' ' 53' ' ' LEU . 6.9 tt -80.0 -25.75 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.25 111.129 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' GLY . 98.3 t -75.01 -50.33 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.04 111.159 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -49.95 -37.04 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 52.05 111.167 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.78 87.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.066 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.85 -41.69 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 72.15 111.145 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.27 -51.14 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -23.72 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.891 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -105.11 -169.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.06 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 51.14 111.101 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.94 57.01 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.846 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -133.89 129.77 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.14 -35.28 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 60.01 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . 14.9 m -72.87 -31.07 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 64.5 111.079 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -50.55 -34.28 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.869 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -71.61 -35.45 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.932 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.0 tp -77.9 -34.12 51.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.71 HD23 ' CG1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -60.03 -40.6 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.876 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD11 ' HB1' ' A' ' 41' ' ' ALA . 4.8 mt -76.33 -51.26 12.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 74.35 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -56.17 -46.45 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -70.71 -29.84 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.587 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.87 -51.02 26.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 64.02 112.477 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.76 67.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 65.44 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.24 -61.0 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.16 -30.98 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.137 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.753 HD11 ' HA3' ' A' ' 34' ' ' GLY . 4.1 mp -66.94 -41.17 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 70.21 110.912 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.55 -27.54 34.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 61.52 110.91 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -47.89 22.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.23 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 51.3 111.106 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.71 -28.35 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -53.74 41.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 65.22 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.22 -35.23 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.59 -34.58 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 33.25 111.089 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.11 -21.99 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.2 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -44.97 -36.84 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.4 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 18' ' ' GLU . 5.8 pt -50.41 -44.2 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD23 ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -73.06 -41.0 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.889 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -30.44 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 53.44 110.895 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.9 t60 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 71.11 110.879 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 52.05 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.94 -36.02 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.1 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.0 -30.03 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.89 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.85 -23.64 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.866 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.728 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.39 -56.06 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 63.54 111.087 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.08 -47.43 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.43 -35.49 75.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.88 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.24 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 30' ' ' PHE . 31.0 mm -62.37 -29.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -60.5 -37.86 82.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 64.33 110.893 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -29.04 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.16 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -37.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.24 111.123 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -23.39 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.923 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -55.59 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 62.12 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.4 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.35 -169.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 75.05 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.32 45.68 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.9 -30.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 70.4 112.518 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.54 -30.3 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 72.44 110.868 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.734 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 16.7 p90 -72.75 -31.69 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 55.55 110.93 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.38 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 72.34 110.846 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.53 -27.15 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.11 110.945 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.34 -35.84 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 60.31 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.3 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -42.73 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.887 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.56 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.891 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 24.2 t80 -78.53 -40.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.5 -30.23 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.48 -29.47 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.817 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.95 23.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 25.33 112.472 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.22 -29.32 56.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 63.04 112.49 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.1 -17.22 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 73.32 110.883 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.694 ' O ' HG22 ' A' ' 39' ' ' THR . 4.5 mmt -70.59 -28.79 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.88 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.711 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.8 tt -79.85 -24.91 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' HG3' ' A' ' 42' ' ' GLU . 98.6 t -68.29 -40.59 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.25 111.162 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -50.89 -29.67 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 71.25 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.918 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.32 -37.69 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.148 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.72 -46.99 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.117 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.706 ' HG3' HG12 ' A' ' 38' ' ' VAL . 47.4 mt-10 -54.83 -54.99 35.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.461 . . . . 61.23 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -25.74 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 64.42 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -100.64 -176.49 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.843 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.84 -61.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 51.21 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -92.12 55.63 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.851 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.42 146.76 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -75.3 -35.44 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 53' ' ' LEU . 30.0 m -77.15 -31.98 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.142 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -35.78 47.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 64.45 110.906 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.23 -30.35 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 43.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -77.73 -36.36 50.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.905 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.92 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 41' ' ' ALA . 3.4 mt -75.85 -45.86 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.914 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.21 -50.2 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.878 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.4 mmtt -75.24 -21.14 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.14 110.88 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -71.1 -53.24 10.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 72.25 112.497 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.43 -18.4 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 73.44 110.882 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.35 -60.73 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.9 m -52.77 -30.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.087 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' LYS . 57.2 mt -71.03 -46.63 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 65.54 110.926 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.24 -32.37 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.896 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.7 -36.33 60.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.937 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.18 -33.24 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.45 111.098 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.872 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -52.67 59.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 11' ' ' ILE . 3.0 pp -70.32 -36.72 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.933 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.9 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 70.35 111.09 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.92 -22.84 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.845 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -47.79 -51.3 23.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 72.2 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.554 HD11 ' CG ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -49.37 -34.39 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 72.44 111.159 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.734 HD21 ' CZ ' ' A' ' 23' ' ' TYR . 15.1 mt -71.22 -50.31 34.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.899 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -56.66 -30.59 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.825 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.778 0.323 . . . . 72.51 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.523 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.0 mm -51.57 -42.31 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 63.53 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.0 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 72.3 110.902 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.853 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.3 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.21 111.124 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.6 m-85 -66.9 -32.12 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.922 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -78.29 -33.72 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.22 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 55.15 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.653 HG12 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -50.53 -28.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.163 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.62 -30.77 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.879 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -36.88 61.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.899 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 64.52 111.107 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.57 -34.33 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 70.05 111.147 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -25.1 63.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.887 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.112 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 61.4 61.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 73.01 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.23 100.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -143.31 -64.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 42.25 110.875 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.24 -32.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 74.42 112.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -19.96 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 64.11 110.872 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -48.39 -30.56 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.938 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -70.28 -45.02 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 64.03 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.35 -21.62 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 52.41 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.22 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 51.22 111.11 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 68' ' ' ALA . 78.8 mt -68.85 -28.91 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.929 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -31.82 28.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.908 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.13 -37.28 75.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.913 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -79.01 -33.66 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.0 mm? -56.48 -33.81 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.33 -18.73 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.898 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.01 93.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 40.24 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -81.39 -31.1 34.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 63.25 112.52 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.53 -17.52 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.343 . . . . 63.22 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -76.9 -35.53 57.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.865 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.517 HD11 ' HG ' ' A' ' 53' ' ' LEU . 9.2 tp -79.68 -26.33 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 34' ' ' GLY . 69.9 t -57.61 -45.92 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 64.12 111.108 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 12.9 t -51.04 -31.03 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.173 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -38.2 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.098 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.88 -55.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 38' ' ' VAL . 6.0 mm-40 -51.93 -45.91 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 63.52 110.897 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -68.79 -23.86 64.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -94.89 -178.35 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.32 110.915 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.75 -53.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.075 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -84.49 54.91 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.826 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp60 -132.85 131.96 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.11 110.892 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.937 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.8 m -77.34 -31.97 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.13 111.124 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.537 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.4 -46.04 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 52.31 110.9 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.41 -48.73 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 tp -73.83 -29.67 62.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 62.43 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 37' ' ' ILE . 1.2 mp -58.84 -42.7 89.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 62.13 110.935 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 41' ' ' ALA . 6.7 mt -76.34 -51.39 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.927 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -55.67 -35.14 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.22 110.86 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 5.7 mmtt -71.44 -31.12 66.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.699 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.25 -44.74 58.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 44.43 112.508 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -20.88 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 62.14 110.929 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.21 -60.57 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 60.32 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 27.4 m -50.38 -30.97 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.13 111.113 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.5 mp -70.92 -46.6 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.941 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.0 -32.77 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.51 110.849 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -75.76 -48.6 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.91 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.3 -31.02 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 51.13 111.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.13 -22.74 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -52.25 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.871 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.653 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.25 -32.48 70.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.942 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.18 -34.23 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.124 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.06 -21.77 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 60.53 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -44.82 -36.65 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.44 -44.36 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.45 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -73.02 -41.22 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 53.04 110.929 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -32.36 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.842 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 52.13 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.68 -37.34 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 63.21 111.08 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -29.99 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.894 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.53 -38.12 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 53.51 110.832 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.31 90.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.577 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.3 m-85 -65.33 -31.99 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 64.44 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -76.93 -31.69 56.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.34 57.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 44.42 111.092 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG12 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.63 -28.61 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.169 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.04 -37.57 54.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.911 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -36.85 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -50.69 68.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.108 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 67' ' ' LEU . 4.0 tt -67.51 -35.05 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 65.13 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -23.45 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 65.5 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.19 -56.91 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 64.44 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 48.27 37.67 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.866 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.21 -74.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 64.03 110.846 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 179.55 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.87 5.19 4.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 75.34 112.5 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.89 -44.32 91.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 64.23 110.865 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 71' ' ' ILE . 6.8 p90 -50.91 -30.24 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.966 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -49.86 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.23 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.37 -23.05 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.66 52.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 54.25 111.122 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.35 -28.69 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 62.23 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -31.03 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.925 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -71.89 -37.47 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.834 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD2' HD12 ' A' ' 11' ' ' ILE . 8.1 m-85 -79.28 -32.77 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -34.91 66.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 63.13 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.52 -18.99 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.869 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.66 -42.58 87.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 53.25 112.539 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -67.39 -39.7 91.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.22 112.445 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -17.7 56.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 73.21 110.915 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.6 OUTLIER -65.91 -48.95 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 75.01 110.884 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.9 tp -80.1 -26.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.137 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 34' ' ' GLY . 94.6 t -61.73 -45.72 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 33.32 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 10.8 t -51.45 -30.0 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.34 111.147 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.68 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 53.42 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -67.47 -49.18 64.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.21 111.08 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.9 mm-40 -54.24 -52.84 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 70.43 110.87 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.75 66.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -86.48 -179.53 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -164.96 -54.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 62.41 111.119 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -90.58 47.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.898 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' HG3' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -122.02 130.01 52.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.91 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -28.96 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.91 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.6 m -77.55 -31.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.12 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.27 -45.15 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.21 110.89 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -54.23 -48.92 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.0 tt -72.3 -30.19 64.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.904 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -58.92 -46.23 88.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 65.14 110.902 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.3 mt -76.58 -43.03 40.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.03 110.877 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -55.12 -44.37 74.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 53.54 110.862 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.14 -31.38 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.893 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.54 -52.53 15.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.799 -0.715 . . . . 73.44 112.491 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.95 -21.12 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 61.03 110.88 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.63 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.6 m -50.72 -30.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.04 111.122 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 58' ' ' LYS . 15.7 mt -73.96 -44.02 56.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.9 -27.43 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.68 -47.87 24.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -55.38 -31.22 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 51.24 111.088 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.36 -22.58 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.886 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.95 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.694 HD11 HG12 ' A' ' 11' ' ' ILE . 2.8 pp -70.13 -33.71 72.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.908 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.19 -22.0 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -45.06 -37.26 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 65.53 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 23' ' ' TYR . 5.7 pt -50.56 -44.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.141 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -39.56 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.31 -29.01 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.852 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.724 0.297 . . . . 74.43 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.476 HG22 ' CE2' ' A' ' 8' ' ' PHE . 50.2 mm -51.54 -41.41 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.132 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -30.0 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.889 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -33.26 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.896 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.07 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.5 m-85 -66.48 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -78.07 -33.09 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.815 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.33 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.04 111.107 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 30' ' ' PHE . 3.1 tp -50.55 -28.55 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.31 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.53 -45.34 73.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.88 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -29.24 70.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.879 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -67.7 -49.83 60.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 64.5 111.061 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -34.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 72.1 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.95 -25.53 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.94 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.11 -30.01 24.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.41 111.059 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 52.41 48.31 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.34 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.427 ' OD1' HD23 ' A' ' 72' ' ' LEU . 11.5 t30 63.21 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.43 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.99 -41.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.17 -19.6 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 33.32 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.96 -25.84 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 62.11 110.903 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HD21 ' A' ' 72' ' ' LEU . 42.8 p90 -53.28 -29.0 30.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.91 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -46.51 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.15 110.898 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.2 -26.05 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -63.25 -37.55 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 54.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' HG2' ' A' ' 65' ' ' GLU . 47.2 mt -72.22 -28.76 63.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.919 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -52.5 -40.64 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 60.33 110.878 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -27.5 65.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 64.55 110.862 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CE2' HD13 ' A' ' 11' ' ' ILE . 2.5 t80 -67.72 -46.5 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 61' ' ' LEU . 13.9 mt -63.46 -38.37 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -31.2 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.83 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.49 -27.0 55.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 73.44 112.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.23 -46.84 14.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 51.34 112.468 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.42 -17.86 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 73.32 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.69 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -65.05 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.877 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.753 HG22 ' O ' ' A' ' 34' ' ' GLY . 10.2 tt -79.31 -24.88 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 72.43 111.094 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG12 ' HG3' ' A' ' 42' ' ' GLU . 97.4 t -61.97 -43.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.142 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 36' ' ' MET . 9.1 t -51.32 -29.84 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.23 111.154 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.58 61.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.85 -45.09 45.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.21 111.082 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -58.22 -55.63 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 64.41 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -23.52 65.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -91.24 -178.64 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.87 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.57 -45.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.126 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -91.6 45.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 53.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.1 tp60 -124.75 133.04 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.885 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -78.03 -29.8 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.51 -32.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.129 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.52 -45.79 6.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.897 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -52.75 -48.63 66.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.95 -29.52 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.3 mp -58.34 -41.85 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.936 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 41' ' ' ALA . 9.2 mt -76.06 -47.09 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 64.33 110.935 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -57.26 -50.05 74.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 62.15 110.87 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.5 mtmp? -66.73 -21.54 66.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.862 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.716 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -66.13 -52.62 35.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 55.13 112.488 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -19.34 58.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.292 . . . . 70.14 110.85 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.06 -60.5 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.876 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' LYS . 26.9 m -50.86 -31.08 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.42 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.07 -53.9 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 64.32 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.96 -32.39 72.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -45.96 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 74.02 110.932 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.97 -30.62 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 61.55 111.1 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.639 ' HG2' HD13 ' A' ' 27' ' ' LEU . 9.0 mt-10 -75.56 -22.49 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -53.4 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.831 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.37 -36.45 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.92 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.69 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.42 111.105 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.8 mm-40 -80.47 -23.29 40.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.12 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -47.77 -51.73 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 70.1 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -35.27 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' CE1' ' A' ' 23' ' ' TYR . 16.5 mt -68.08 -49.45 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 64.51 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.86 -30.82 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.922 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.855 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.759 0.314 . . . . 73.41 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.41 -39.9 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.125 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.81 -30.08 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 61.21 110.866 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -64.11 -33.65 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.807 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.18 79.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 52.42 111.121 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.573 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.2 m-85 -62.53 -32.25 73.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.918 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -78.14 -33.48 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 63.03 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.86 -26.14 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.06 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.3 tp -50.73 -28.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.01 111.144 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.71 -30.68 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.53 110.915 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -34.9 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.891 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.79 -51.62 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 30.33 111.103 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -73.77 -33.25 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.1 111.109 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -63.79 -22.24 66.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 73.04 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.68 -55.84 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 35.25 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.98 71.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.85 -168.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -131.67 67.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.872 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.53 -31.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 30.31 112.467 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -80.83 -25.07 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 74.35 110.85 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 71' ' ' ILE . 1.1 m-85 -51.74 -29.23 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -36.88 64.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 62.2 110.883 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.52 -25.5 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.04 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -76.14 -49.79 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.149 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 68' ' ' ALA . 12.8 mt -57.33 -28.59 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.897 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -30.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.903 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -42.07 89.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.826 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CD1' HD13 ' A' ' 11' ' ' ILE . 34.1 t80 -67.81 -41.63 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.55 -30.08 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -31.46 67.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.842 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.16 -40.84 33.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.524 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.16 -29.35 55.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.21 112.477 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.07 -17.4 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 72.41 110.847 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 mmt -68.7 -42.08 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 tt -79.83 -25.9 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.147 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 34' ' ' GLY . 87.4 t -73.99 -53.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 52.25 111.149 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -51.48 -30.01 18.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.119 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.12 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.51 111.073 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.74 -44.78 48.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 50.43 111.073 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.94 -55.81 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.897 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -25.34 64.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.79 -177.64 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.876 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.64 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 55.31 111.077 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.0 m -93.06 54.48 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 33.31 110.85 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.7 tp-100 -134.41 135.8 42.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.04 110.935 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.09 -30.81 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.51 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.0 m -77.72 -32.3 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.088 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -43.65 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.885 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.16 -49.2 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 55.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.23 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -57.8 -40.97 81.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.922 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.62 -51.29 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.98 -38.83 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.55 110.833 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 60' ' ' VAL . 16.0 mmtp -73.36 -33.05 64.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.891 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.527 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.41 -48.88 34.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.06 66.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.733 0.301 . . . . 74.14 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.02 -60.72 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.4 m -51.09 -30.61 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 54.42 111.16 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD11 ' HA3' ' A' ' 34' ' ' GLY . 3.6 mp -69.46 -52.82 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.896 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.4 -30.87 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 62.24 110.916 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -72.32 -51.01 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.61 -30.86 61.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.34 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.6 -21.78 55.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 74.15 110.838 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -58.6 -55.35 36.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.15 -41.3 74.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.54 110.882 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -62.62 -26.75 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 60.54 111.109 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mm-40 -79.75 -22.97 42.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 62.34 110.893 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -46.19 -51.94 13.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.897 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.748 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -50.96 -38.67 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 71.03 111.113 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.7 mt -69.96 -49.96 46.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.917 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.9 -29.49 65.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.55 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.86 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 72.23 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.55 -38.61 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 64.42 111.155 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.14 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 54.44 110.881 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.39 -32.67 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.849 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.11 -53.6 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 44.54 111.13 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -51.91 -32.48 32.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -64.69 -47.21 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.868 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.19 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 55.12 111.132 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.705 HD11 ' CG ' ' A' ' 30' ' ' PHE . 42.7 mm -51.61 -43.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.158 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.75 -40.04 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 63.1 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.07 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.84 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.89 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.23 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -36.68 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -63.27 -23.41 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.22 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -51.96 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 56.44 57.11 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 11.5 t30 -136.88 177.22 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 45.1 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -129.15 52.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 64.33 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.65 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.753 . . . . 43.15 112.469 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.27 -21.38 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 75.5 110.899 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -53.38 -31.45 44.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 63.12 110.936 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.9 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.44 110.858 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -35.2 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.883 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 71.2 111.069 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 68' ' ' ALA . 9.4 mt -58.39 -29.38 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -36.96 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.902 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -62.87 -34.03 76.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.877 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 13.8 t80 -76.64 -39.23 52.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.828 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.47 -30.24 64.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.944 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -26.85 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.11 -33.66 35.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.478 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.602 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.1 -29.38 55.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 51.14 112.53 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.56 -17.25 54.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.21 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' THR . 9.7 mtt -73.6 -29.03 62.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.859 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.693 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.6 tt -80.04 -25.07 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.11 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 42' ' ' GLU . 62.8 t -68.29 -41.74 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 36' ' ' MET . 6.2 t -50.85 -29.51 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.108 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.909 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.12 -38.0 61.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 73.23 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.65 -49.63 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.156 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 38' ' ' VAL . 40.2 mt-10 -53.54 -54.71 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.884 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -25.23 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 72.2 110.895 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -100.88 -175.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.48 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 63.13 111.094 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.35 54.01 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 62.14 110.889 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG2' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -122.43 140.48 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 75.34 110.932 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -70.35 -35.78 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.52 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 53' ' ' LEU . 29.4 m -75.33 -32.14 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 71.12 111.121 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.73 -34.92 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.877 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.13 -31.73 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.69 -34.1 52.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -59.47 -45.57 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.9 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.546 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.7 mt -71.04 -50.44 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 54.42 110.934 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -53.54 -50.38 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 60' ' ' VAL . 10.6 mtpp -75.24 -20.96 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.71 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -72.01 -53.59 9.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 73.43 112.468 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -18.57 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 70.02 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -76.71 -60.41 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 64.31 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 56' ' ' LYS . 34.5 m -50.92 -30.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.35 111.124 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.43 -53.94 24.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.4 110.875 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.64 -32.2 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 64.42 110.933 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -32.65 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.97 -29.23 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 62.34 111.113 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.63 -22.39 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 61.14 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -50.55 61.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.28 -31.99 69.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -64.69 -34.47 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.22 111.071 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.97 -21.74 40.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 42.44 110.862 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -44.9 -36.37 3.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 63.11 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.7 pt -50.6 -44.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.18 -41.31 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 64.45 110.87 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -30.62 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.33 110.893 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.885 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.752 0.31 . . . . 63.22 111.166 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.526 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.7 mm -51.67 -43.6 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 64.24 111.106 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -52.08 -30.02 24.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 60.34 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.52 -37.34 85.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.864 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.34 89.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -65.77 -32.11 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.889 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.09 -33.46 50.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.33 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 31.21 111.119 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 67' ' ' LEU . 1.4 tt -50.59 -28.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 54.23 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.5 -33.93 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -34.04 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.885 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.82 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 43.23 111.083 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' LEU . 2.5 tt -66.14 -33.7 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.52 111.17 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.97 -23.8 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 53.15 110.898 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.58 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.34 111.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 63.25 62.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.2 110.882 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.42 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.99 -46.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.55 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.63 -28.79 4.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 50.31 112.499 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -21.88 41.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 65.33 110.879 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 71' ' ' ILE . 7.6 p90 -51.64 -28.69 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.908 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -37.38 65.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.24 110.921 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -23.32 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.39 46.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.42 111.104 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 30' ' ' PHE . 26.9 mt -56.71 -29.14 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -31.09 64.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.9 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -34.04 61.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.13 110.827 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HD2' HD23 ' A' ' 27' ' ' LEU . 12.2 m-85 -79.13 -36.32 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.11 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.95 -35.76 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 53.43 110.909 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.47 -18.9 62.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 53.04 110.87 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -38.61 93.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.754 . . . . 55.14 112.45 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -80.04 -29.24 47.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 70.23 112.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.35 -17.42 64.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 71.24 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 mmt -67.0 -45.37 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 61.21 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.7 tt -79.27 -25.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 65.21 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 34' ' ' GLY . 88.6 t -64.65 -52.99 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.136 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -53.14 -30.07 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.03 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.6 75.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 51.33 111.123 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.71 -38.06 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.3 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.17 -47.77 72.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -67.78 -25.43 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.915 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.72 -176.45 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.907 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.73 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 61.52 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -91.13 59.86 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.534 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.4 tp-100 -145.06 137.1 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 54.35 110.921 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -77.72 -31.85 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG22 ' HG3' ' A' ' 47' ' ' GLN . 26.3 m -77.3 -32.37 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 63.34 111.099 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.603 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.83 -38.18 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.891 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.47 -48.14 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.3 tm? -69.1 -31.47 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.15 110.93 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.56 -40.26 74.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 50.2 110.919 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.2 mt -76.28 -50.48 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 63.34 110.899 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -51.52 -44.02 62.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.53 110.883 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HD2' HD11 ' A' ' 52' ' ' LEU . 2.7 mttt -74.19 -28.84 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.01 110.935 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.28 14.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.47 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -22.52 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 74.5 110.922 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.57 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.06 -30.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.31 -42.24 88.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.6 -27.22 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -71.75 -51.04 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.924 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -30.68 60.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 54.42 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.31 -23.6 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 51.52 110.902 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -50.76 61.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 44.23 110.886 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.23 -32.89 70.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.1 -34.8 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.32 111.106 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.09 -21.58 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 73.34 110.917 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -44.89 -36.59 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.502 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.9 pt -50.36 -44.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 72.23 111.09 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -41.82 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.02 110.939 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -30.2 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 63.51 110.845 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.833 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 45.23 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.71 -32.14 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.105 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.33 -29.88 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.876 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.08 -23.46 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 64.35 110.925 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.727 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.28 -54.15 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 63.41 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -51.64 -47.85 63.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.88 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.12 -35.74 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 70.05 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.22 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 30' ' ' PHE . 33.4 mm -66.96 -32.98 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 70.41 111.142 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -58.44 -35.28 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.857 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -40.84 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -52.57 -50.82 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.058 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -35.75 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.12 111.175 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -25.39 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 53.11 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.7 -46.57 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 44.11 111.083 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.7 mt-10 63.07 61.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 62.23 110.851 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 63.23 105.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.45 110.887 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -156.19 -44.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.89 -17.89 4.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.12 112.51 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.03 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 63.42 110.916 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.763 ' CE2' HD21 ' A' ' 72' ' ' LEU . 50.5 p90 -51.83 -39.62 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 70.34 110.931 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -54.25 32.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 74.15 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.3 -26.24 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -58.1 -49.53 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.9 mt -61.65 -38.43 87.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 71.05 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -51.74 -48.57 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.933 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -58.21 -29.36 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.866 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 62.0 t80 -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.901 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD23 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -57.72 -29.89 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.915 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.51 -20.51 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 51.45 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.42 -49.13 33.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 52.12 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.01 -34.15 61.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 72.22 112.461 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.97 -17.55 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 71.45 110.841 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . 3.7 mmt -63.4 -50.44 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 53' ' ' LEU . 13.7 tt -80.35 -26.14 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.44 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.5 t -64.04 -42.51 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.35 111.176 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 36' ' ' MET . 6.9 t -51.27 -29.71 15.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.179 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.09 -51.01 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.41 111.131 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -61.91 -32.57 72.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 111.063 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 38' ' ' VAL . 4.8 mt-10 -73.21 -35.27 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.16 12.81 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.96 -179.62 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 73.4 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.08 142.46 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 54.53 111.068 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t 52.04 36.27 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 72.15 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' HG22 ' A' ' 49' ' ' VAL . 16.5 tt0 -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.908 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -84.0 -29.62 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG22 ' HG2' ' A' ' 47' ' ' GLN . 9.0 m -78.92 -32.19 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.111 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.573 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -45.22 -37.54 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.875 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.75 -48.24 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.886 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 52' ' ' LEU . 6.1 tt -73.01 -30.36 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -60.37 -46.93 88.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.03 110.879 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 41' ' ' ALA . 8.1 mt -76.69 -31.63 57.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.933 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -67.2 -50.22 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 71.13 110.817 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.2 mttm -68.5 -37.99 80.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -64.84 -36.95 93.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.462 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -31.59 58.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 75.33 110.889 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -70.82 -59.01 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 61' ' ' LEU . 21.8 m -50.25 -31.54 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.32 111.144 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.0 mp -74.74 -38.31 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.946 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.33 -27.33 56.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 62.02 110.859 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -75.66 -45.86 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.56 59.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.53 111.08 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.72 -24.72 56.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 52.54 110.857 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -53.36 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.827 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD21 HG21 ' A' ' 11' ' ' ILE . 3.3 pp -70.38 -37.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 71.21 110.886 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -63.22 -26.83 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 60.1 111.102 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mm-40 -80.57 -23.3 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.91 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -47.69 -51.85 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.52 -35.23 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 72.42 111.106 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 ' CE2' ' A' ' 23' ' ' TYR . 17.2 mt -68.79 -50.83 47.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.916 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.53 -27.38 67.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 72.21 110.935 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 71.34 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.505 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.4 mm -51.66 -40.35 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 51.33 111.115 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.71 -30.02 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.899 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -32.81 74.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.865 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.29 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.44 111.123 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.585 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -70.94 -32.1 68.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -78.12 -33.3 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.887 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.29 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -50.62 -28.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.43 111.113 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.3 -33.69 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -28.93 59.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.893 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.87 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -62.72 -37.08 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.115 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -63.16 -23.53 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 35.04 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.32 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.33 111.121 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 52.55 47.75 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD12 ' A' ' 71' ' ' ILE . 6.5 t-20 -130.61 169.64 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.6 56.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.22 -61.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 55.21 112.473 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -21.8 40.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 73.23 110.87 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.53 -28.39 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -73.55 -37.96 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.69 -22.67 56.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.69 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.44 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 68' ' ' ALA . 32.2 mt -72.7 -28.68 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -51.57 -30.24 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -52.09 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.914 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HD2' HD23 ' A' ' 27' ' ' LEU . 8.6 m-85 -62.98 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 61' ' ' LEU . 1.1 mt -57.14 -33.96 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 65.51 110.962 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.21 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.858 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.57 90.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.8 -54.12 6.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 73.11 112.498 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -57.77 -23.04 50.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 40.22 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.627 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.66 -34.48 64.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.857 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CD1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.28 -26.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 65.45 111.123 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.88 -31.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.124 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 36' ' ' MET . 13.4 t -60.7 -31.43 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 63.02 111.156 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -49.27 77.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . . . -69.78 -29.07 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.1 111.086 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.72 -18.34 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.855 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -99.74 -18.71 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.42 -176.6 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.75 155.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 60.54 111.065 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.1 26.46 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -108.79 136.03 49.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.894 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -71.38 -32.66 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 47' ' ' GLN . 18.5 m -77.53 -30.82 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.123 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.49 -52.29 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.92 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -57.82 -27.44 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.7 tp -78.28 -35.47 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 65.12 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 37' ' ' ILE . 2.4 mm? -55.28 -48.55 73.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.34 -51.36 20.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.92 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -51.62 -43.69 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 60.31 110.858 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -74.26 -31.05 62.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 65.4 110.883 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.61 28.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 41.4 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -20.23 65.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 74.24 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -60.26 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.899 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.9 m -50.44 -30.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.08 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 31' ' ' LEU . 3.0 mp -67.62 -54.02 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.913 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.21 -30.02 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.888 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m0 -74.57 -46.05 41.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.33 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 53.31 111.109 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.08 -22.65 55.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 74.15 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -54.28 17.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.836 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.9 pp -70.18 -32.28 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.933 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.708 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.31 -35.01 79.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.116 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.98 -21.68 40.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.885 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -45.09 -36.44 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.909 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.5 pt -50.74 -44.41 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.32 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.95 -40.79 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.41 -30.09 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.51 110.887 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.737 0.303 . . . . 61.04 111.125 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.69 -40.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 53.44 111.131 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -29.97 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.88 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.24 -31.37 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.81 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -50.86 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 70.15 111.089 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.9 m-85 -65.72 -32.12 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.881 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -78.38 -34.76 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.846 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.95 -26.5 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 42.45 111.066 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CD1' ' A' ' 30' ' ' PHE . 6.5 tp -50.77 -28.38 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 70.15 111.13 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.31 -36.6 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 55.45 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -28.96 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.847 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -50.8 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.13 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -70.04 -33.69 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.13 111.176 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -60.81 -23.83 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.64 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 45.2 111.051 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 58.03 36.59 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.87 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 71' ' ' ILE . 17.0 t-20 -134.65 164.28 27.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.3 110.926 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -114.16 48.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.73 -66.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 74.44 112.481 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -81.81 -19.8 40.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 74.55 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 71' ' ' ILE . 1.6 p90 -49.22 -28.84 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 62.14 110.905 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -43.37 62.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.893 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.54 -23.37 53.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 64.2 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -33.43 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 72.12 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 68' ' ' ALA . 11.6 mt -72.14 -28.61 63.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.96 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -30.93 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.903 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -67.51 -40.92 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.865 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CD1' HD13 ' A' ' 11' ' ' ILE . 36.4 t80 -66.93 -42.49 85.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.862 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.13 -32.38 71.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 51.12 110.9 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.48 -37.41 53.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 74.02 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.689 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -57.43 -29.6 60.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.802 -0.714 . . . . 54.03 112.471 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.97 -17.43 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 71.04 110.93 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 mmt -68.55 -44.17 75.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 tt -80.03 -26.12 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 70.23 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 34' ' ' GLY . 89.1 t -73.63 -53.1 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.138 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -51.29 -29.96 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.52 111.113 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.83 64.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 41.12 111.093 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.57 -43.13 57.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.108 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.27 -55.19 36.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.906 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -25.29 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.33 110.934 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -90.85 -178.09 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.66 -38.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 71.44 111.107 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -96.66 54.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.576 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.8 tp-100 -136.17 136.86 40.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 73.1 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -79.01 -31.21 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.3 m -77.57 -32.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.125 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.38 -42.67 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.843 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -57.09 -49.52 75.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.52 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.71 -29.66 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 54.34 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -57.42 -42.35 82.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.23 110.922 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.55 -45.06 32.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 62.13 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -57.48 -48.41 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.888 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -72.17 -38.12 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 72.12 110.901 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.583 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -65.48 -35.93 91.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 74.24 112.523 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.01 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 71.13 110.88 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.95 -55.07 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.86 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -51.26 -31.37 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.52 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HA3' ' A' ' 34' ' ' GLY . 2.7 mp -67.75 -53.57 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.68 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.86 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -73.99 -40.53 62.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 65.23 110.958 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -54.76 -33.51 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 61.42 111.112 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.72 -22.95 56.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -52.66 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.822 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.1 pp -70.33 -32.54 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -63.93 -35.51 80.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.081 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.8 -21.45 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 60.32 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -44.85 -36.66 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 62.42 110.906 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 23' ' ' TYR . 6.3 pt -50.25 -44.25 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 61.41 111.154 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.11 -42.26 63.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.917 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.65 -31.58 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.03 110.845 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.792 0.329 . . . . 72.33 111.164 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.49 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 63.13 111.107 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.1 -42.05 97.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 43.15 110.823 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -26.49 49.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.42 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.44 -52.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 55.41 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -51.09 -32.48 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.88 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -68.01 -42.07 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.873 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.63 67.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.084 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 30' ' ' PHE . 41.4 mm -51.1 -47.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.137 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.89 -34.85 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -36.08 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.84 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . . . -57.72 -50.99 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.3 111.072 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -33.03 60.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.107 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.95 -23.77 34.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.24 110.957 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -46.67 53.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.097 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 59.94 20.68 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -174.16 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.28 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.878 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.76 -89.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 63.45 112.529 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -80.49 -20.03 44.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 53.22 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -48.45 -28.8 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.918 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -46.98 64.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.894 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.77 -25.99 56.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 71.14 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.594 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -67.02 -49.89 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 62.45 111.09 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.91 -35.52 80.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -41.87 75.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 63.31 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -25.9 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 64.44 110.853 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 1.3 t80 -69.48 -46.4 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.914 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.14 -40.66 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.58 -30.65 66.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.833 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.48 -35.83 28.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.466 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -57.91 -43.84 94.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.7 -0.762 . . . . 74.02 112.526 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.46 -27.8 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 74.54 110.891 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.693 ' O ' HG22 ' A' ' 39' ' ' THR . 72.1 mmm -55.91 -28.65 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 42.54 110.887 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.706 HG13 HD23 ' A' ' 53' ' ' LEU . 12.6 tt -80.08 -24.83 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.23 111.139 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.733 HG12 ' HG3' ' A' ' 42' ' ' GLU . 59.5 t -69.47 -40.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.114 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 36' ' ' MET . 6.0 t -50.74 -29.89 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.131 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.74 -39.06 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.093 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.8 -35.9 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.04 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.733 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -21.39 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.935 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -100.18 -176.18 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.12 137.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 53.23 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t 60.37 26.68 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 70.14 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -99.14 146.46 26.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 70.43 110.909 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -68.9 -37.33 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.879 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 53' ' ' LEU . 32.4 m -77.3 -32.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.135 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -35.7 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -75.23 -31.21 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.87 -32.66 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 64.13 110.922 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -62.9 -47.22 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.889 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' ALA . 13.5 mt -76.05 -43.25 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.916 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -60.74 -47.93 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 32.4 mmtp -74.33 -34.82 63.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -67.52 -35.23 86.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 34.41 112.51 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -32.03 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 74.54 110.892 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -70.05 -55.29 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.7 m -51.32 -31.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.134 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 30' ' ' PHE . 36.4 mt -74.51 -35.8 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 72.22 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -79.25 -29.16 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -75.63 -46.91 28.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.93 -31.75 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.22 111.087 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.05 -23.91 55.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -54.2 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.852 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 41.54 110.927 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.7 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.3 111.063 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.17 -21.45 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 65.52 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -44.8 -36.62 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 62.24 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.5 -44.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 73.45 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.71 63.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.922 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.85 -29.98 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 53.13 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 62.43 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.754 0.312 . . . . 61.2 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.1 mm -51.54 -42.74 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.2 111.148 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.37 -30.09 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.853 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.48 -35.92 82.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.16 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -73.22 -32.08 64.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.871 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -76.47 -31.87 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.855 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.76 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 62.55 111.134 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 67' ' ' LEU . 1.7 tp -51.64 -28.31 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.129 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.27 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -28.7 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.71 -50.75 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 51.13 111.054 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 67' ' ' LEU . 1.3 tt -68.31 -36.89 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.42 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.27 -23.31 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HB1' ' HG2' ' A' ' 20' ' ' GLU . . . -64.69 -56.56 12.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.121 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 62.88 15.59 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 176.92 88.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.551 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 57.7 mm-40 -155.9 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.49 7.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.2 112.513 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -60.36 -18.19 48.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 74.44 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 16.9 p90 -45.86 -32.21 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.918 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -45.43 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 71.41 110.885 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.47 -30.39 57.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.072 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD13 ' OE1' ' A' ' 65' ' ' GLU . 26.5 mt -52.98 -28.74 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 65.24 110.906 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -61.35 -32.79 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.929 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -37.89 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.55 110.84 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 11' ' ' ILE . 16.3 m-85 -72.02 -40.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -37.38 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -19.29 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.36 -40.78 91.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 54.52 112.51 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.88 -38.8 35.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 75.32 112.446 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' A' ' 61' ' ' LEU . 2.4 mm-40 -62.25 -17.23 57.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 64.12 110.876 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -65.1 -48.51 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.909 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 34' ' ' GLY . 12.3 tt -55.52 -25.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.31 111.093 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 42' ' ' GLU . 45.2 t -56.41 -39.51 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.1 111.117 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 36' ' ' MET . 6.8 t -51.62 -30.31 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.46 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.078 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.62 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.77 -45.97 40.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 62.32 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.1 mt-10 -56.37 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.54 110.878 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -25.09 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.2 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -91.49 -176.51 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 64.32 110.863 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.5 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.54 111.098 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -94.59 49.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 54.04 110.839 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.577 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp-100 -126.01 136.47 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.888 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -79.19 -30.8 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' HG3' ' A' ' 47' ' ' GLN . 28.9 m -77.85 -32.78 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.145 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.58 -45.32 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.45 110.894 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -53.42 -48.92 68.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.843 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.42 -29.64 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.32 -42.57 87.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 41' ' ' ALA . 7.3 mt -76.42 -50.33 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.893 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.14 -41.18 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.813 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -68.7 -32.58 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.934 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.15 -52.58 22.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 62.33 112.499 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -22.14 65.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.35 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -60.64 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.9 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -51.14 -30.87 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.15 111.156 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 57' ' ' GLY . 5.3 mp -62.75 -47.39 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 63.3 110.921 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -79.63 -30.02 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -69.88 -45.79 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 62.13 110.904 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.54 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.22 111.081 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE1' HD13 ' A' ' 27' ' ' LEU . 2.4 mt-10 -76.0 -22.58 55.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 71.51 110.902 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -52.68 27.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 52.12 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 11' ' ' ILE . 1.8 pp -70.12 -32.59 70.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.15 -36.09 82.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 35.14 111.124 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE1' HD13 ' A' ' 72' ' ' LEU . 5.4 mm-40 -81.44 -22.44 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -35.94 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.942 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.6 pt -50.93 -44.17 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 73.02 111.102 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -73.47 -40.0 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.948 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.8 -30.81 46.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.874 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.52 110.861 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.74 0.305 . . . . 53.44 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.504 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.8 mm -51.67 -42.7 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.43 111.135 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.45 -30.0 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.88 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.81 -34.48 77.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.832 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.8 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.091 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.2 m-85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.863 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -78.28 -33.26 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.845 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.74 -26.21 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 30.14 111.126 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' CD1' ' A' ' 30' ' ' PHE . 4.3 tp -50.69 -28.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.095 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.44 -33.29 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 52.4 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -29.04 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.889 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -47.83 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.07 -33.64 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.162 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.79 -24.99 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.23 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -51.5 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.085 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 71' ' ' ILE . 2.9 mt-10 61.05 57.05 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.894 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 63.25 96.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.909 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -157.77 -48.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.919 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.5 2.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 75.22 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -26.0 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 74.55 110.857 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -52.02 -31.97 32.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.978 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -47.27 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.841 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -74.97 -25.63 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.902 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.6 89.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 51.32 111.106 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.0 mt -64.99 -28.69 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.44 110.938 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -46.05 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 71.41 110.904 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.14 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.889 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' HD13 ' A' ' 11' ' ' ILE . 12.4 t80 -77.51 -41.74 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.908 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.35 -31.07 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.927 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -28.01 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.876 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.59 -44.64 12.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.449 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.24 -29.02 55.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 74.53 112.516 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -77.83 -17.18 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 71.44 110.846 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 4' ' ' ILE . 2.5 mmt -72.09 -39.95 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.854 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 tt -79.33 -26.06 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.147 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 34' ' ' GLY . 96.9 t -72.22 -51.05 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 71.24 111.159 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -51.33 -30.18 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.115 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.2 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.54 111.112 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -69.62 -30.98 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 34.52 111.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mt-10 -76.28 -33.98 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.15 110.865 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -86.09 -24.22 26.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -85.97 -176.65 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 52.54 110.898 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.57 149.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 27.66 15.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.836 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 139.33 43.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.927 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -74.36 -33.46 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.62 -36.19 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 63.21 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.578 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.63 -41.83 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.855 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.9 -47.97 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.3 tm? -69.82 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.943 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.54 -41.51 76.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 71.13 110.927 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.52 -51.33 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.95 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 5.4 t60 -52.35 -45.06 65.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.85 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.6 mmtt -75.76 -21.12 57.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.941 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.36 -53.95 12.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 71.33 112.514 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.68 -19.42 57.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 63.45 110.906 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -75.13 -60.62 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 56' ' ' LYS . 31.3 m -51.8 -30.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.54 111.117 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 58' ' ' LYS . 40.0 mt -69.04 -52.72 25.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.78 -31.2 70.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.855 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -75.65 -38.69 58.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -62.86 -29.29 70.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.094 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.69 -22.52 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.3 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.53 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 73.55 110.813 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.33 -32.77 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.864 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.104 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.06 -21.72 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 45.02 110.836 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -44.87 -36.57 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.34 110.876 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.43 -44.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.52 111.126 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 63.55 110.947 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.04 -31.05 28.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 71.2 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.839 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.775 0.322 . . . . 62.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.66 -38.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.117 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -30.23 45.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.841 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.76 -30.87 71.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.825 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -66.35 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 60.5 111.091 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.9 m-85 -66.12 -32.09 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.955 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -78.14 -33.66 50.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 65.23 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.21 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 72.22 111.087 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 8' ' ' PHE . 6.1 tp -50.69 -28.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 63.52 111.135 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -37.57 81.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 61.55 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -28.92 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.862 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -50.71 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -71.26 -33.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 71.11 111.076 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.92 -22.95 66.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.32 110.947 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.74 38.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.51 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.09 108.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.35 87.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -162.57 -177.9 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 7.28 3.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 71.03 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -20.57 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 72.2 110.897 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 15.9 p90 -48.27 -30.32 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.95 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.89 -45.8 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.845 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -26.54 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 54.52 110.878 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -41.55 57.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.23 -28.77 65.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 62.03 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -51.72 -45.68 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.893 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -60.72 -28.43 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.84 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 18.9 t80 -77.94 -40.73 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 61' ' ' LEU . 3.5 mm? -59.82 -30.22 68.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.926 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -24.98 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.825 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -51.44 6.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 52.22 112.506 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -55.23 -32.25 57.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 51.13 112.473 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.93 -23.26 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 64.53 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.689 ' O ' HG22 ' A' ' 39' ' ' THR . 2.5 mmm -73.65 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.31 110.842 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -26.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.54 111.132 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 34' ' ' GLY . 91.2 t -66.59 -38.8 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.096 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -51.28 -29.61 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.102 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -37.5 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 60.31 111.105 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.78 -45.16 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 53.12 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.6 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -22.6 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -91.08 -178.83 5.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.935 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.65 -50.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 53.1 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.89 48.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.852 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.3 tp60 -125.65 132.46 52.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 71.55 110.886 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -78.52 -29.36 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.61 -31.9 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.113 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.528 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -46.06 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.852 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -52.53 -48.46 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.901 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.0 -29.53 62.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 64.43 110.929 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.75 -42.58 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.86 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.8 mt -76.49 -51.17 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.88 -39.88 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.855 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.63 ' O ' HG13 ' A' ' 60' ' ' VAL . 15.0 mmtt -68.98 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.893 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.62 -52.41 25.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.717 . . . . 65.23 112.525 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -24.23 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 75.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -79.22 -60.83 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 56' ' ' LYS . 21.8 m -51.25 -30.37 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.109 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 31' ' ' LEU . 46.1 mt -73.62 -37.12 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.87 -32.09 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 64.15 110.871 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -75.67 -41.59 53.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.4 110.96 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.74 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 65.31 111.094 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.02 -24.68 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.887 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -54.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.22 -32.94 71.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 71.2 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.48 78.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.099 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.9 -21.77 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.95 -36.87 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 73.2 110.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.9 pt -50.38 -44.22 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 70.22 111.196 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.07 -40.8 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.924 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -30.48 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.898 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.31 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.71 0.291 . . . . 75.13 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.45 -30.92 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 64.21 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -30.03 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.88 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.47 -23.65 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 53.3 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.07 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 63.53 111.118 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -50.81 -47.92 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.93 -34.99 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.876 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -33.8 67.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.21 111.061 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.637 HD11 ' CD1' ' A' ' 30' ' ' PHE . 37.5 mm -53.18 -47.28 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.129 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -28.94 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 42.12 110.849 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.08 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.04 111.138 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.23 -45.46 76.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.104 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.2 mt-10 63.56 35.2 11.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.01 110.872 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' O ' HD13 ' A' ' 71' ' ' ILE . 55.9 t30 -141.23 160.32 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.871 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -117.53 110.7 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 63.51 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.84 -115.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 75.53 112.496 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -65.66 -22.06 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 75.31 110.863 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -51.35 -30.61 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.891 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 71.51 110.854 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.18 -31.41 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.878 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.68 62.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.31 111.116 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' ALA . 7.2 mt -53.35 -36.69 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 54.32 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -52.97 -28.83 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.891 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -37.35 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.02 110.893 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CD1' HD11 ' A' ' 11' ' ' ILE . 51.7 t80 -61.45 -47.34 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.83 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.75 -36.63 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 55.34 110.957 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -49.87 -49.26 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.849 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.95 74.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 61.04 112.509 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.36 -29.21 56.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 51.53 112.471 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.97 -23.04 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 75.02 110.903 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.3 mmt -72.72 -28.07 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.927 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 57' ' ' GLY . 3.9 tp -71.03 -27.25 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.123 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.85 -54.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 70.04 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -49.18 -45.1 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.51 111.161 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.32 111.121 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.735 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.97 -49.93 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 62.24 111.103 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.24 -54.12 44.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 74.1 110.932 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -28.61 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.856 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -99.86 -169.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.16 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -94.02 40.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 61.51 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' CG ' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -123.35 137.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -35.26 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.892 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 47' ' ' GLN . 18.1 m -75.59 -30.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 75.23 111.127 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -51.28 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 62.34 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.4 -27.47 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.33 -30.0 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.913 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 40' ' ' ALA . 80.0 mt -59.72 -46.3 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.938 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD11 ' HB1' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -76.16 -41.45 49.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.915 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -51.41 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.834 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 60' ' ' VAL . 4.9 mtmp? -75.9 -34.06 59.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.2 110.905 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -63.32 -40.77 99.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.761 . . . . 54.41 112.496 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.39 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 73.41 110.857 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.58 -56.41 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 65.33 110.881 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 56' ' ' LYS . 32.6 m -52.03 -31.57 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 53.24 111.13 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.31 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.32 -32.63 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -76.09 -47.37 24.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 64.25 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.66 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.43 111.061 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -76.65 -32.23 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -55.47 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD11 ' CG2' ' A' ' 11' ' ' ILE . 3.6 pp -70.41 -38.64 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.954 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.16 -26.9 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 61.52 111.085 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.69 -23.42 39.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.88 -51.74 21.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.74 -35.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.13 111.124 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 71' ' ' ILE . 13.1 mt -71.09 -48.21 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.1 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -58.37 -29.11 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 62.24 110.937 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 65.43 110.836 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.764 0.316 . . . . 75.44 111.15 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.2 mm -51.55 -43.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 60.43 111.137 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.85 -30.13 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.839 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.71 -36.75 81.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.808 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.27 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 63.23 111.077 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -61.14 -32.09 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.884 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -78.13 -33.5 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 51.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.56 57.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 72.52 111.069 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.661 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.2 tp -50.74 -28.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 62.21 111.173 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -30.56 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.855 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.56 -51.3 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 63.25 111.087 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -74.17 -33.28 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 64.53 111.117 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -62.64 -23.25 66.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -59.41 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.11 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 43.75 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 70.04 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -91.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.34 110.867 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 172.2 104.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 64.34 110.883 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.97 -37.94 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 74.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -27.91 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 62.41 110.87 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 71' ' ' ILE . 9.5 m-85 -57.4 -28.78 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.873 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -55.73 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 75.42 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -22.5 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -75.6 -49.89 17.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 71.54 111.091 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -57.99 -28.28 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 54.44 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -50.29 -31.48 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -43.37 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.874 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CD1' HD13 ' A' ' 11' ' ' ILE . 23.3 t80 -66.34 -41.77 89.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -30.15 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.911 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.67 -45.03 72.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.837 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.26 89.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 60.13 112.506 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -54.31 -37.36 59.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 71.14 112.489 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.29 -17.86 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 64.22 110.907 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.0 mmm -70.48 -29.08 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 64.52 110.816 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.671 HG13 HD23 ' A' ' 53' ' ' LEU . 8.5 tt -79.77 -25.22 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.02 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.767 HG12 ' HG3' ' A' ' 42' ' ' GLU . 48.4 t -75.02 -49.98 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -50.47 -30.66 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.11 67.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.091 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.91 -50.84 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.088 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.767 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mm-40 -55.15 -53.1 60.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 62.33 110.882 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -61.57 -25.33 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -91.79 -177.55 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.61 140.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.14 111.086 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t 63.36 25.93 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 54.45 110.866 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 139.94 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.41 110.953 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -69.81 -34.47 73.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.22 -31.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 70.32 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -51.38 -34.9 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 65.04 110.867 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.16 -34.37 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.898 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -30.27 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.671 HD23 HG13 ' A' ' 37' ' ' ILE . 1.3 mt -63.15 -45.21 92.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.923 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.09 -30.18 58.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.45 110.899 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 45.1 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.0 mmtm -70.57 -27.95 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.3 110.894 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.85 -52.45 24.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 53.11 112.465 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.17 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 65.33 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.08 -60.68 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.34 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LYS . 22.3 m -51.23 -30.46 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.085 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.75 -48.65 45.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.952 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.2 -27.18 64.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -55.09 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.53 -29.77 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.42 111.101 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -22.27 54.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.898 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -55.08 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.889 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.11 -40.94 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 60.52 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 67' ' ' LEU . . . -62.91 -26.98 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 51.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 -80.01 -23.15 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.874 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -46.45 -51.83 14.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -51.24 -38.16 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.21 111.107 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 69' ' ' GLU . 7.5 mt -72.12 -41.75 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 60.52 110.941 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.23 -30.39 70.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.23 110.888 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.907 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.708 0.289 . . . . 71.15 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.47 -36.78 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 71.01 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -52.78 -30.11 31.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.1 -32.71 73.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.82 -53.45 26.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.14 111.107 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.71 -41.38 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -57.85 -33.5 68.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.52 -39.18 58.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.081 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 67' ' ' LEU . 60.4 mt -51.19 -49.65 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.097 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -51.75 -38.11 54.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -28.73 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.831 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.66 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 45.12 111.122 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -60.15 -32.71 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.15 111.142 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -22.92 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . . . -47.92 -47.54 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 64.1 111.113 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 59.83 63.11 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -178.24 -172.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.875 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.56 105.44 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.88 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.86 -62.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 73.25 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -22.16 39.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 65.42 110.859 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 71' ' ' ILE . 19.4 m-85 -50.6 -49.71 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.867 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -51.88 -39.52 59.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -43.98 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 70.34 110.841 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.8 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.061 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' HG2' ' A' ' 65' ' ' GLU . 40.6 mt -58.11 -30.59 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.14 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -27.33 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.894 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -45.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 17.8 m-85 -59.24 -44.94 92.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' A' ' 61' ' ' LEU . 1.2 mp -58.31 -36.64 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 34.43 110.947 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.37 -33.76 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.24 110.863 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.35 -46.35 34.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.498 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA3' HD21 ' A' ' 61' ' ' LEU . . . -55.92 -33.98 61.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 43.14 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.63 -17.48 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 54.41 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.14 -39.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.858 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 34' ' ' GLY . 9.6 tp -79.65 -24.98 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.25 -53.4 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.3 111.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.83 -38.0 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.109 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.42 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 64.31 111.074 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.69 -46.76 35.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.109 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.66 -52.48 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.74 -25.3 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.27 -177.31 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.875 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.05 -44.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 42.5 111.126 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 t -91.56 45.89 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.874 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.5 tp60 -126.11 130.74 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -29.94 56.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.9 m -77.51 -31.94 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.54 111.141 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.24 -43.68 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -57.26 -49.59 75.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.28 -29.81 66.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 64.41 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -59.05 -46.84 87.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.964 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 41' ' ' ALA . 1.4 mt -76.31 -40.14 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 60.42 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.27 -49.71 76.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.4 110.854 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.633 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.7 mtmt -74.21 -32.41 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.663 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -69.26 -35.06 76.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 44.34 112.445 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -32.55 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.707 0.289 . . . . 71.05 110.85 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.05 -60.59 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.1 p -51.19 -30.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 72.14 111.12 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.806 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.1 mm? -62.98 -46.2 88.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.51 110.929 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.29 -26.92 35.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -67.53 -52.81 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' HD13 ' A' ' 11' ' ' ILE . . . -55.18 -31.22 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.02 111.118 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.606 ' HG2' HD22 ' A' ' 27' ' ' LEU . 4.9 mt-10 -76.86 -21.84 54.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.857 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.5 -54.26 47.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.1 110.837 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD13 ' HB ' ' A' ' 15' ' ' ILE . 3.8 pp -69.25 -40.88 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.74 -26.6 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 65.2 111.132 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 mm-40 -80.35 -23.79 40.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.877 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -46.31 -51.66 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.907 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.664 HG21 ' CZ ' ' A' ' 23' ' ' TYR . 1.5 pp -52.3 -39.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.21 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.9 mt -67.98 -47.98 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 43.34 110.929 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.7 -29.44 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.878 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 64.03 110.894 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.741 0.305 . . . . 64.41 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 8' ' ' PHE . 47.9 mm -51.94 -43.25 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.122 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.89 -30.04 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.72 -35.79 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -65.65 -52.97 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.567 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.3 m-85 -53.99 -32.05 52.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -76.17 -30.94 58.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.854 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.31 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.079 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -50.64 -28.52 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.42 111.104 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.84 -32.64 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -34.97 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.12 110.88 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -50.83 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.41 111.098 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -68.94 -32.97 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.133 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.38 -23.58 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.903 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.38 -40.6 36.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 62.45 111.143 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 61.23 20.71 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -178.5 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.886 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.45 91.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.25 -80.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 43.03 112.47 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -20.33 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 71.25 110.862 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -50.67 -28.32 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.943 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -39.1 64.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 74.52 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.876 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . . . -63.17 -49.99 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 41.01 111.099 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -34.12 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.919 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -78.34 -43.52 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' A' ' 11' ' ' ILE . 6.5 m-85 -61.68 -44.28 97.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.859 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 ' HA ' HD22 ' A' ' 61' ' ' LEU . 2.1 mp -60.87 -33.18 72.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 63.21 110.947 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -71.56 -42.22 68.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.818 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.68 94.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 72.54 112.477 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -60.39 -29.27 68.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 61.34 112.497 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.92 -17.2 53.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 62.53 110.905 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -38.44 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.497 HD11 ' HG ' ' A' ' 53' ' ' LEU . 12.5 tt -77.05 -25.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.23 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.2 t -64.53 -53.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 62.31 111.141 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -54.69 -30.08 54.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 75.12 111.146 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.92 77.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 64.34 111.12 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -73.21 -37.18 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.14 -50.46 63.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -25.35 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.927 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.29 -177.3 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.42 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -172.24 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -85.98 53.37 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.896 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.6 tp60 -141.75 136.26 30.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.41 110.94 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -31.73 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.849 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.2 m -77.11 -31.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.136 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.675 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -42.71 -37.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.932 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -67.43 -50.37 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.31 110.898 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.37 -29.32 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.985 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.909 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -75.77 -47.2 26.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.23 110.93 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.81 -50.21 69.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.21 110.846 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.608 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.4 mtpm? -76.0 -20.97 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.56 -53.03 8.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 62.45 112.51 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.15 -18.31 60.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 55.0 110.928 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -60.82 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 54.31 110.877 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 56' ' ' LYS . 20.2 m -51.57 -30.72 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.03 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.701 HD11 ' HA3' ' A' ' 34' ' ' GLY . 30.6 mt -73.98 -36.68 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.45 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -30.93 46.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.873 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -75.8 -36.4 59.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.919 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -64.47 -29.88 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.41 111.178 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.4 -22.54 54.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.858 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -56.1 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 71.52 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.7 pp -70.16 -30.76 67.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.931 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.17 80.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.34 111.095 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.1 -21.47 39.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.87 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -44.79 -36.56 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 51.22 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -41.87 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 70.42 110.928 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -60.33 -27.72 67.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 70.23 110.888 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.842 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.734 0.302 . . . . 72.32 111.183 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -26.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.14 111.127 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.54 -35.12 78.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.863 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.1 -38.11 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.867 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.14 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 41.31 111.111 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.6 ' O ' HG22 ' A' ' 11' ' ' ILE . 21.7 m-85 -60.21 -31.99 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -78.19 -34.96 49.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.17 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 60.11 111.111 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 HD11 ' A' ' 67' ' ' LEU . 2.9 tt -50.62 -28.4 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.13 111.141 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.88 -37.66 79.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.93 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -29.06 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.886 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.94 66.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.41 111.142 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -64.35 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.135 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.96 -23.55 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.872 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.36 -43.93 61.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 63.03 111.084 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 51.98 54.45 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.88 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' HD12 ' A' ' 71' ' ' ILE . 25.8 t30 -126.93 175.72 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -134.3 38.09 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.888 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.53 -53.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 60.24 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -81.35 -21.39 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 74.24 110.881 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.8 p90 -53.36 -31.93 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 54.31 110.965 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.71 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.895 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -33.79 60.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.83 87.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 41.54 111.122 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 30' ' ' PHE . 18.6 mt -60.4 -28.57 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.892 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -51.53 -34.9 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.931 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -72.67 -33.76 66.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.848 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 25.5 m-85 -76.95 -38.37 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.841 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HA ' HD11 ' A' ' 61' ' ' LEU . 3.3 mp -53.83 -40.51 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.895 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -71.77 -22.09 61.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.8 60.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 71.14 112.493 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.711 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -73.1 -56.55 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 64.13 112.502 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.0 -24.82 7.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 74.12 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.688 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -58.51 -28.86 65.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.85 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 34' ' ' GLY . 13.4 tt -79.32 -25.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 60.4 111.125 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG12 ' HG3' ' A' ' 42' ' ' GLU . 92.1 t -61.73 -43.89 97.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.129 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 36' ' ' MET . 8.6 t -51.26 -29.76 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 63.31 111.125 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.83 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.42 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.77 -28.55 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 61.42 111.109 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.644 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.0 mm-40 -79.29 -23.82 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.881 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.34 -24.13 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -100.89 -175.03 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -174.38 155.03 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 35.44 111.078 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t 63.24 34.4 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.04 110.87 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.45 146.31 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.31 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -78.72 -33.65 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -78.05 -36.74 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.102 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -43.63 -44.73 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.31 110.88 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -53.57 -48.55 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.93 -29.72 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -59.93 -43.8 94.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.954 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.64 -43.25 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.15 110.932 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.76 -49.13 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.846 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.91 -36.15 75.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.559 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -52.52 -49.78 50.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 42.24 112.485 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -29.86 57.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.748 0.309 . . . . 62.24 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -65.6 -60.71 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 51.52 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.7 m -51.38 -30.58 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 54.22 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' GLY . 2.4 mm? -69.1 -52.87 23.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.93 -27.84 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -75.82 -50.95 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.43 110.93 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.23 60.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.073 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.19 -22.55 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 63.13 110.877 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -53.62 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.12 110.867 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.2 -32.74 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 70.11 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.74 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.01 111.132 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.03 -21.76 39.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.53 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.87 -36.34 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.958 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.7 pt -50.37 -44.41 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.21 -41.83 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 55.11 110.942 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.68 32.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.871 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.41 110.851 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 64.22 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.15 67.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 72.4 112.498 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -155.25 148.81 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 51.33 111.12 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.542 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.9 mm -51.51 -41.52 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 65.21 111.138 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.01 -30.08 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.864 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.86 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 53.02 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.26 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 61.02 111.09 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.7 m-85 -71.56 -32.11 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.891 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -76.92 -31.59 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 75.31 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.5 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 tp -50.95 -28.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.112 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -62.27 -39.73 93.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -28.76 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.868 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.34 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 72.2 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -36.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 70.24 111.133 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -63.33 -23.41 67.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 23' ' ' TYR . . . -60.58 -55.72 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 54.43 111.104 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 71' ' ' ILE . 3.5 mt-10 60.16 55.06 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -161.08 175.83 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 72' ' ' LEU . 56.5 mt-10 -114.56 106.78 14.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.53 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.83 -139.69 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.502 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -58.55 -19.86 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 71.23 110.835 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 17' ' ' ALA . 44.0 m-85 -48.58 -28.64 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 65.22 110.907 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -66.78 -45.25 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.82 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.71 -22.4 53.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.15 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.97 82.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 50.31 111.122 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.7 mt -57.29 -36.66 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -36.15 40.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.939 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.48 -38.96 91.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 64.32 110.902 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -68.06 -42.66 80.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 61' ' ' LEU . 2.5 mt -58.58 -30.18 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.835 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.52 72.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 73.43 112.458 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.753 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -55.95 -29.5 55.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 33.21 112.502 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.47 -17.7 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 70.05 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 mmt -70.57 -35.81 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.842 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.71 ' CG1' HD23 ' A' ' 53' ' ' LEU . 6.9 tt -80.0 -25.75 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.25 111.129 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' GLY . 98.3 t -75.01 -50.33 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.04 111.159 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -49.95 -37.04 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 52.05 111.167 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.78 87.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.066 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.85 -41.69 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 72.15 111.145 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.27 -51.14 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -23.72 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.891 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -105.11 -169.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.06 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 51.14 111.101 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.94 57.01 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.846 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -133.89 129.77 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.14 -35.28 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 60.01 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . 14.9 m -72.87 -31.07 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 64.5 111.079 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -50.55 -34.28 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.869 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -71.61 -35.45 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.932 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.0 tp -77.9 -34.12 51.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.71 HD23 ' CG1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -60.03 -40.6 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.876 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD11 ' HB1' ' A' ' 41' ' ' ALA . 4.8 mt -76.33 -51.26 12.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 74.35 110.882 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -56.17 -46.45 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -70.71 -29.84 66.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.587 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.87 -51.02 26.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 64.02 112.477 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.76 67.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 65.44 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.24 -61.0 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.16 -30.98 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.137 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.753 HD11 ' HA3' ' A' ' 34' ' ' GLY . 4.1 mp -66.94 -41.17 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 70.21 110.912 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.55 -27.54 34.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 61.52 110.91 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -47.89 22.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.23 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 51.3 111.106 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.71 -28.35 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -53.74 41.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 65.22 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.22 -35.23 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.59 -34.58 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 33.25 111.089 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.11 -21.99 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.2 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -44.97 -36.84 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.4 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 18' ' ' GLU . 5.8 pt -50.41 -44.2 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD23 ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -73.06 -41.0 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.889 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -30.44 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 53.44 110.895 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.9 t60 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 71.11 110.879 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.328 . . . . 53.22 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.39 44.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 75.25 112.507 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -155.56 150.69 26.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 52.05 111.137 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.94 -36.02 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.1 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.0 -30.03 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.89 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.85 -23.64 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.866 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.728 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.39 -56.06 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 63.54 111.087 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -51.08 -47.43 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -60.43 -35.49 75.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.88 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.24 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 30' ' ' PHE . 31.0 mm -62.37 -29.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -60.5 -37.86 82.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 64.33 110.893 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -29.04 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.16 66.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -37.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.24 111.123 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -23.39 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.923 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -55.59 18.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 62.12 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.4 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -179.35 -169.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 75.05 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.32 45.68 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.9 -30.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 70.4 112.518 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.54 -30.3 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 72.44 110.868 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.734 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 16.7 p90 -72.75 -31.69 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 55.55 110.93 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.38 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 72.34 110.846 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.53 -27.15 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.11 110.945 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.34 -35.84 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 60.31 111.118 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.3 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -42.73 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.887 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.56 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.891 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 24.2 t80 -78.53 -40.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.5 -30.23 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.48 -29.47 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.817 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.95 23.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 25.33 112.472 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.22 -29.32 56.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 63.04 112.49 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.1 -17.22 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 73.32 110.883 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.694 ' O ' HG22 ' A' ' 39' ' ' THR . 4.5 mmt -70.59 -28.79 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.88 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.711 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.8 tt -79.85 -24.91 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' HG3' ' A' ' 42' ' ' GLU . 98.6 t -68.29 -40.59 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.25 111.162 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -50.89 -29.67 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 71.25 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.918 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.32 -37.69 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.148 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.72 -46.99 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.117 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.706 ' HG3' HG12 ' A' ' 38' ' ' VAL . 47.4 mt-10 -54.83 -54.99 35.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.461 . . . . 61.23 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -25.74 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 64.42 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -100.64 -176.49 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.843 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.84 -61.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 51.21 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -92.12 55.63 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.851 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.42 146.76 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.916 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -75.3 -35.44 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 53' ' ' LEU . 30.0 m -77.15 -31.98 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.142 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -35.78 47.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 64.45 110.906 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -75.23 -30.35 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 43.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -77.73 -36.36 50.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.905 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.92 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 41' ' ' ALA . 3.4 mt -75.85 -45.86 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.914 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.21 -50.2 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.5 110.878 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.4 mmtt -75.24 -21.14 58.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.14 110.88 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -71.1 -53.24 10.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 72.25 112.497 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.43 -18.4 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 73.44 110.882 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.35 -60.73 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.9 m -52.77 -30.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.087 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' LYS . 57.2 mt -71.03 -46.63 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 65.54 110.926 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.24 -32.37 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.896 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.7 -36.33 60.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.937 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.18 -33.24 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.45 111.098 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.872 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -52.67 59.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 11' ' ' ILE . 3.0 pp -70.32 -36.72 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.933 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.9 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 70.35 111.09 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.92 -22.84 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.845 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -47.79 -51.3 23.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 72.2 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.554 HD11 ' CG ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -49.37 -34.39 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 72.44 111.159 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.734 HD21 ' CZ ' ' A' ' 23' ' ' TYR . 15.1 mt -71.22 -50.31 34.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.899 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -56.66 -30.59 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.825 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.17 67.19 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 72.33 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -156.53 148.36 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 72.51 111.158 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.523 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.0 mm -51.57 -42.31 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 63.53 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.0 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 72.3 110.902 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.853 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.3 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.21 111.124 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.6 m-85 -66.9 -32.12 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.922 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -78.29 -33.72 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.22 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 55.15 111.152 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.653 HG12 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -50.53 -28.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.163 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.62 -30.77 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.879 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -36.88 61.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.899 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 64.52 111.107 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.57 -34.33 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 70.05 111.147 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -25.1 63.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.887 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.112 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 61.4 61.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 73.01 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.23 100.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.893 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -143.31 -64.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 42.25 110.875 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.24 -32.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 74.42 112.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -19.96 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 64.11 110.872 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -48.39 -30.56 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.938 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -70.28 -45.02 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 64.03 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.35 -21.62 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 52.41 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.22 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 51.22 111.11 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 68' ' ' ALA . 78.8 mt -68.85 -28.91 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.929 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -31.82 28.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.908 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.13 -37.28 75.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.913 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -79.01 -33.66 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.0 mm? -56.48 -33.81 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.33 -18.73 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.898 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.01 93.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 40.24 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -81.39 -31.1 34.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 63.25 112.52 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.53 -17.52 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.343 . . . . 63.22 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -76.9 -35.53 57.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.865 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 HD11 ' HG ' ' A' ' 53' ' ' LEU . 9.2 tp -79.68 -26.33 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 34' ' ' GLY . 69.9 t -57.61 -45.92 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 64.12 111.108 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 12.9 t -51.04 -31.03 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.173 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -38.2 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.098 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.88 -55.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 38' ' ' VAL . 6.0 mm-40 -51.93 -45.91 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 63.52 110.897 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -68.79 -23.86 64.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -94.89 -178.35 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.32 110.915 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.75 -53.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.075 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -84.49 54.91 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.826 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp60 -132.85 131.96 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.11 110.892 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.44 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.937 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.8 m -77.34 -31.97 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.13 111.124 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.537 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.4 -46.04 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 52.31 110.9 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.41 -48.73 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 tp -73.83 -29.67 62.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 62.43 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 37' ' ' ILE . 1.2 mp -58.84 -42.7 89.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 62.13 110.935 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 41' ' ' ALA . 6.7 mt -76.34 -51.39 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.927 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -55.67 -35.14 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.22 110.86 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 5.7 mmtt -71.44 -31.12 66.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.699 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.25 -44.74 58.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 44.43 112.508 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -20.88 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 62.14 110.929 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.21 -60.57 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 60.32 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 27.4 m -50.38 -30.97 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.13 111.113 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.5 mp -70.92 -46.6 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.941 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.0 -32.77 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.51 110.849 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -75.76 -48.6 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.91 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.3 -31.02 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 51.13 111.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.13 -22.74 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -52.25 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.871 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.653 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.25 -32.48 70.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.942 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.18 -34.23 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.124 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.06 -21.77 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 60.53 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -44.82 -36.65 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.44 -44.36 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.45 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -73.02 -41.22 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 53.04 110.929 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -32.36 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.842 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.347 . . . . 73.55 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.81 82.74 0.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 62.53 112.471 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -134.03 147.34 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 52.13 111.13 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.68 -37.34 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 63.21 111.08 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -29.99 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.894 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.53 -38.12 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 53.51 110.832 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.31 90.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.577 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.3 m-85 -65.33 -31.99 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 64.44 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -76.93 -31.69 56.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.34 57.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 44.42 111.092 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG12 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.63 -28.61 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.169 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.04 -37.57 54.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.911 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -36.85 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -50.69 68.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.108 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 67' ' ' LEU . 4.0 tt -67.51 -35.05 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 65.13 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -23.45 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 65.5 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.19 -56.91 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 64.44 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 48.27 37.67 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.866 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.21 -74.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 64.03 110.846 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 179.55 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.87 5.19 4.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 75.34 112.5 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -58.89 -44.32 91.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 64.23 110.865 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 71' ' ' ILE . 6.8 p90 -50.91 -30.24 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.966 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -49.86 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 74.23 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.37 -23.05 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.66 52.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 54.25 111.122 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.35 -28.69 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 62.23 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.71 -31.03 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.925 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -71.89 -37.47 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.834 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD2' HD12 ' A' ' 11' ' ' ILE . 8.1 m-85 -79.28 -32.77 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -34.91 66.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 63.13 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.52 -18.99 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.869 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.66 -42.58 87.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 53.25 112.539 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -67.39 -39.7 91.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.22 112.445 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -17.7 56.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 73.21 110.915 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.679 ' O ' HG22 ' A' ' 39' ' ' THR . 0.6 OUTLIER -65.91 -48.95 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 75.01 110.884 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.9 tp -80.1 -26.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.137 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 34' ' ' GLY . 94.6 t -61.73 -45.72 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 33.32 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 36' ' ' MET . 10.8 t -51.45 -30.0 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.34 111.147 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.68 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 53.42 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -67.47 -49.18 64.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.21 111.08 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.9 mm-40 -54.24 -52.84 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 70.43 110.87 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.75 66.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -86.48 -179.53 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -164.96 -54.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 62.41 111.119 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -90.58 47.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.898 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' HG3' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -122.02 130.01 52.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.91 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -28.96 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.91 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.6 m -77.55 -31.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.12 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.27 -45.15 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.21 110.89 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -54.23 -48.92 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.0 tt -72.3 -30.19 64.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.904 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -58.92 -46.23 88.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 65.14 110.902 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.3 mt -76.58 -43.03 40.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.03 110.877 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -55.12 -44.37 74.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 53.54 110.862 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.14 -31.38 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.893 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.54 -52.53 15.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.799 -0.715 . . . . 73.44 112.491 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.95 -21.12 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 61.03 110.88 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.63 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.6 m -50.72 -30.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.04 111.122 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 58' ' ' LYS . 15.7 mt -73.96 -44.02 56.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.9 -27.43 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.68 -47.87 24.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -55.38 -31.22 61.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 51.24 111.088 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.36 -22.58 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.886 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.95 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.694 HD11 HG12 ' A' ' 11' ' ' ILE . 2.8 pp -70.13 -33.71 72.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.908 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.19 -22.0 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -45.06 -37.26 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 65.53 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 23' ' ' TYR . 5.7 pt -50.56 -44.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.141 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -39.56 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.31 -29.01 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.852 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ptt? . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.805 0.336 . . . . 61.54 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.93 46.31 0.9 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.725 -0.75 . . . . 64.53 112.506 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 p -133.12 145.84 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.724 0.297 . . . . 74.43 111.183 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.476 HG22 ' CE2' ' A' ' 8' ' ' PHE . 50.2 mm -51.54 -41.41 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.132 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -30.0 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.889 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -33.26 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.896 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.07 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.5 m-85 -66.48 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -78.07 -33.09 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.815 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.33 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.04 111.107 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 30' ' ' PHE . 3.1 tp -50.55 -28.55 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.31 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.53 -45.34 73.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.88 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -29.24 70.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.879 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -67.7 -49.83 60.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 64.5 111.061 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -34.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 72.1 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.95 -25.53 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.94 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.11 -30.01 24.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.41 111.059 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 52.41 48.31 22.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.34 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.427 ' OD1' HD23 ' A' ' 72' ' ' LEU . 11.5 t30 63.21 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.43 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.99 -41.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.17 -19.6 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 33.32 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.96 -25.84 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 62.11 110.903 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HD21 ' A' ' 72' ' ' LEU . 42.8 p90 -53.28 -29.0 30.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.91 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -46.51 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.15 110.898 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.2 -26.05 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -63.25 -37.55 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 54.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' HG2' ' A' ' 65' ' ' GLU . 47.2 mt -72.22 -28.76 63.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.919 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -52.5 -40.64 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 60.33 110.878 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -27.5 65.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 64.55 110.862 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CE2' HD13 ' A' ' 11' ' ' ILE . 2.5 t80 -67.72 -46.5 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 61' ' ' LEU . 13.9 mt -63.46 -38.37 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -31.2 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.83 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.49 -27.0 55.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 73.44 112.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.23 -46.84 14.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 51.34 112.468 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.42 -17.86 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 73.32 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.69 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -65.05 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.877 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.753 HG22 ' O ' ' A' ' 34' ' ' GLY . 10.2 tt -79.31 -24.88 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 72.43 111.094 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG12 ' HG3' ' A' ' 42' ' ' GLU . 97.4 t -61.97 -43.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.142 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 36' ' ' MET . 9.1 t -51.32 -29.84 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.23 111.154 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.58 61.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.85 -45.09 45.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.21 111.082 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -58.22 -55.63 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 64.41 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -23.52 65.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -91.24 -178.64 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.87 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.57 -45.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.126 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -91.6 45.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 53.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.1 tp60 -124.75 133.04 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.885 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -78.03 -29.8 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.51 -32.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.34 111.129 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.52 -45.79 6.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.897 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -52.75 -48.63 66.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.95 -29.52 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.3 mp -58.34 -41.85 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.936 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 41' ' ' ALA . 9.2 mt -76.06 -47.09 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 64.33 110.935 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -57.26 -50.05 74.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 62.15 110.87 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.5 mtmp? -66.73 -21.54 66.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.862 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.716 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -66.13 -52.62 35.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 55.13 112.488 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -19.34 58.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.292 . . . . 70.14 110.85 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.06 -60.5 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.876 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' LYS . 26.9 m -50.86 -31.08 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.42 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.07 -53.9 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 64.32 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.96 -32.39 72.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -45.96 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 74.02 110.932 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.97 -30.62 62.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 61.55 111.1 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.639 ' HG2' HD13 ' A' ' 27' ' ' LEU . 9.0 mt-10 -75.56 -22.49 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -53.4 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.831 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.37 -36.45 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.92 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.69 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 71.42 111.105 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.8 mm-40 -80.47 -23.29 40.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.12 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -47.77 -51.73 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 70.1 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -35.27 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' CE1' ' A' ' 23' ' ' TYR . 16.5 mt -68.08 -49.45 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 64.51 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.86 -30.82 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.922 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.855 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 71.31 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.5 64.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 70.3 112.509 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 t -153.33 149.37 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 73.41 111.155 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.41 -39.9 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.125 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.81 -30.08 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 61.21 110.866 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -64.11 -33.65 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.807 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.18 79.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 52.42 111.121 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.573 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.2 m-85 -62.53 -32.25 73.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.918 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -78.14 -33.48 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 63.03 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.86 -26.14 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.06 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.3 tp -50.73 -28.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.01 111.144 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.71 -30.68 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.53 110.915 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -34.9 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.891 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.79 -51.62 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 30.33 111.103 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -73.77 -33.25 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.1 111.109 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -63.79 -22.24 66.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 73.04 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.68 -55.84 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 35.25 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.98 71.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.85 -168.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -131.67 67.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.872 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.53 -31.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 30.31 112.467 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -80.83 -25.07 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 74.35 110.85 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 71' ' ' ILE . 1.1 m-85 -51.74 -29.23 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -36.88 64.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 62.2 110.883 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.52 -25.5 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.04 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -76.14 -49.79 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.149 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 68' ' ' ALA . 12.8 mt -57.33 -28.59 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.897 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -30.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.903 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -42.07 89.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.826 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CD1' HD13 ' A' ' 11' ' ' ILE . 34.1 t80 -67.81 -41.63 82.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.55 -30.08 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -31.46 67.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.842 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.16 -40.84 33.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.524 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.16 -29.35 55.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.21 112.477 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.07 -17.4 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 72.41 110.847 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 mmt -68.7 -42.08 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 tt -79.83 -25.9 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.147 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 34' ' ' GLY . 87.4 t -73.99 -53.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 52.25 111.149 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -51.48 -30.01 18.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.119 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.12 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.51 111.073 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.74 -44.78 48.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 50.43 111.073 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.94 -55.81 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.897 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -25.34 64.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.79 -177.64 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.876 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.64 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 55.31 111.077 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.0 m -93.06 54.48 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 33.31 110.85 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.7 tp-100 -134.41 135.8 42.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.04 110.935 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.09 -30.81 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.51 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.0 m -77.72 -32.3 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.088 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -43.65 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.885 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.16 -49.2 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 55.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.23 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -57.8 -40.97 81.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.922 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.62 -51.29 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.98 -38.83 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.55 110.833 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 60' ' ' VAL . 16.0 mmtp -73.36 -33.05 64.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.891 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.527 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -70.41 -48.88 34.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.06 66.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.733 0.301 . . . . 74.14 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.02 -60.72 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 56' ' ' LYS . 18.4 m -51.09 -30.61 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 54.42 111.16 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD11 ' HA3' ' A' ' 34' ' ' GLY . 3.6 mp -69.46 -52.82 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.896 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.4 -30.87 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 62.24 110.916 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -72.32 -51.01 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.61 -30.86 61.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.34 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.6 -21.78 55.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 74.15 110.838 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -58.6 -55.35 36.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.15 -41.3 74.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.54 110.882 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -62.62 -26.75 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 60.54 111.109 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mm-40 -79.75 -22.97 42.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 62.34 110.893 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -46.19 -51.94 13.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.897 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.748 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -50.96 -38.67 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 71.03 111.113 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.7 mt -69.96 -49.96 46.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.917 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.9 -29.49 65.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.55 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.86 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 75.23 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.94 54.29 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 40.42 112.478 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.8 p -133.48 147.13 51.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 72.23 111.142 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.55 -38.61 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 64.42 111.155 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.14 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 54.44 110.881 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.39 -32.67 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.849 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.11 -53.6 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 44.54 111.13 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -51.91 -32.48 32.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -64.69 -47.21 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.868 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.19 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 55.12 111.132 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.705 HD11 ' CG ' ' A' ' 30' ' ' PHE . 42.7 mm -51.61 -43.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.158 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.75 -40.04 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 63.1 110.913 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.07 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.84 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.89 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.23 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -36.68 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -63.27 -23.41 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.22 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.16 -51.96 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 56.44 57.11 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 11.5 t30 -136.88 177.22 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 45.1 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -129.15 52.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 64.33 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.65 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.753 . . . . 43.15 112.469 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.27 -21.38 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 75.5 110.899 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -53.38 -31.45 44.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 63.12 110.936 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.9 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.44 110.858 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -35.2 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.883 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 71.2 111.069 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 68' ' ' ALA . 9.4 mt -58.39 -29.38 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -36.96 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.902 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -62.87 -34.03 76.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.877 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 13.8 t80 -76.64 -39.23 52.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.828 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.47 -30.24 64.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.944 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -26.85 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.11 -33.66 35.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.478 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.602 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -56.1 -29.38 55.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 51.14 112.53 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.56 -17.25 54.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.21 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' THR . 9.7 mtt -73.6 -29.03 62.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.859 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.693 ' CG1' HD23 ' A' ' 53' ' ' LEU . 10.6 tt -80.04 -25.07 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.11 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 42' ' ' GLU . 62.8 t -68.29 -41.74 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 36' ' ' MET . 6.2 t -50.85 -29.51 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.108 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.909 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.12 -38.0 61.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 73.23 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.65 -49.63 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.156 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 38' ' ' VAL . 40.2 mt-10 -53.54 -54.71 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.884 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -25.23 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 72.2 110.895 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -100.88 -175.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.48 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 63.13 111.094 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.35 54.01 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 62.14 110.889 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG2' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -122.43 140.48 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 75.34 110.932 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -70.35 -35.78 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.52 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 53' ' ' LEU . 29.4 m -75.33 -32.14 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 71.12 111.121 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.73 -34.92 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.877 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.13 -31.73 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.69 -34.1 52.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -59.47 -45.57 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.9 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.546 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.7 mt -71.04 -50.44 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 54.42 110.934 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -53.54 -50.38 65.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 60' ' ' VAL . 10.6 mtpp -75.24 -20.96 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.71 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -72.01 -53.59 9.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 73.43 112.468 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -18.57 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 70.02 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -76.71 -60.41 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 64.31 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 56' ' ' LYS . 34.5 m -50.92 -30.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.35 111.124 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.3 mp -67.43 -53.94 24.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.4 110.875 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.64 -32.2 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 64.42 110.933 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -32.65 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.97 -29.23 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 62.34 111.113 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.63 -22.39 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 61.14 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -50.55 61.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.28 -31.99 69.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -64.69 -34.47 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.22 111.071 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.97 -21.74 40.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 42.44 110.862 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -44.9 -36.37 3.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 63.11 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.7 pt -50.6 -44.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.18 -41.31 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 64.45 110.87 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -30.62 34.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.33 110.893 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.885 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.776 0.322 . . . . 62.02 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.51 -64.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 61.11 112.466 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -151.58 147.44 26.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 63.22 111.166 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.526 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.7 mm -51.67 -43.6 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 64.24 111.106 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -52.08 -30.02 24.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 60.34 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.52 -37.34 85.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.864 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.34 89.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -65.77 -32.11 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.889 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.09 -33.46 50.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.33 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 31.21 111.119 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 67' ' ' LEU . 1.4 tt -50.59 -28.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 54.23 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.5 -33.93 66.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -34.04 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.885 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.82 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 43.23 111.083 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' LEU . 2.5 tt -66.14 -33.7 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.52 111.17 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.97 -23.8 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 53.15 110.898 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.58 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.34 111.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 63.25 62.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.2 110.882 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.42 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.99 -46.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.55 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.63 -28.79 4.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 50.31 112.499 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -21.88 41.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 65.33 110.879 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 71' ' ' ILE . 7.6 p90 -51.64 -28.69 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.908 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -37.38 65.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.24 110.921 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -23.32 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.39 46.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.42 111.104 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 30' ' ' PHE . 26.9 mt -56.71 -29.14 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -31.09 64.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.9 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -34.04 61.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.13 110.827 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HD2' HD23 ' A' ' 27' ' ' LEU . 12.2 m-85 -79.13 -36.32 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.11 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.95 -35.76 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 53.43 110.909 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.47 -18.9 62.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 53.04 110.87 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -38.61 93.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.754 . . . . 55.14 112.45 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -80.04 -29.24 47.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 70.23 112.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.35 -17.42 64.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 71.24 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 mmt -67.0 -45.37 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 61.21 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 53' ' ' LEU . 10.7 tt -79.27 -25.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 65.21 111.151 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 34' ' ' GLY . 88.6 t -64.65 -52.99 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.25 111.136 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -53.14 -30.07 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.03 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.6 75.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 51.33 111.123 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.71 -38.06 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.3 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.17 -47.77 72.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -67.78 -25.43 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.915 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.72 -176.45 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.907 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.73 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 61.52 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -91.13 59.86 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.534 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.4 tp-100 -145.06 137.1 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 54.35 110.921 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -77.72 -31.85 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG22 ' HG3' ' A' ' 47' ' ' GLN . 26.3 m -77.3 -32.37 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 63.34 111.099 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.603 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.83 -38.18 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.891 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.47 -48.14 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.3 tm? -69.1 -31.47 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.15 110.93 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.56 -40.26 74.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 50.2 110.919 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.2 mt -76.28 -50.48 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 63.34 110.899 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -51.52 -44.02 62.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.53 110.883 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HD2' HD11 ' A' ' 52' ' ' LEU . 2.7 mttt -74.19 -28.84 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.01 110.935 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.28 14.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.47 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -22.52 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 74.5 110.922 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.57 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.06 -30.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.31 -42.24 88.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.6 -27.22 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -71.75 -51.04 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.924 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -30.68 60.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 54.42 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.31 -23.6 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 51.52 110.902 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -50.76 61.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 44.23 110.886 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.23 -32.89 70.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.1 -34.8 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.32 111.106 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.09 -21.58 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 73.34 110.917 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -44.89 -36.59 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.502 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.9 pt -50.36 -44.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 72.23 111.09 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -41.82 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.02 110.939 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -30.2 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 63.51 110.845 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.833 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtp . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.826 0.346 . . . . 54.34 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.06 61.0 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.487 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -136.71 151.45 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 45.23 111.109 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.71 -32.14 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.105 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.33 -29.88 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.876 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.08 -23.46 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 64.35 110.925 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.727 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.28 -54.15 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 63.41 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -51.64 -47.85 63.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.88 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.12 -35.74 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 70.05 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.22 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 30' ' ' PHE . 33.4 mm -66.96 -32.98 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 70.41 111.142 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -58.44 -35.28 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.857 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -40.84 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -52.57 -50.82 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.058 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -35.75 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.12 111.175 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -25.39 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 53.11 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.7 -46.57 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 44.11 111.083 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.7 mt-10 63.07 61.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 62.23 110.851 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 t30 63.23 105.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.45 110.887 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -156.19 -44.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.89 -17.89 4.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.12 112.51 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.03 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 63.42 110.916 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.763 ' CE2' HD21 ' A' ' 72' ' ' LEU . 50.5 p90 -51.83 -39.62 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 70.34 110.931 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -54.25 32.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 74.15 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.3 -26.24 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 14' ' ' ALA . . . -58.1 -49.53 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 68' ' ' ALA . 10.9 mt -61.65 -38.43 87.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 71.05 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -51.74 -48.57 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.933 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -58.21 -29.36 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.866 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 62.0 t80 -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.901 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD23 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -57.72 -29.89 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.915 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.51 -20.51 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 51.45 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.42 -49.13 33.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 52.12 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.01 -34.15 61.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 72.22 112.461 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.97 -17.55 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 71.45 110.841 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . 3.7 mmt -63.4 -50.44 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 53' ' ' LEU . 13.7 tt -80.35 -26.14 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.44 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.5 t -64.04 -42.51 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.35 111.176 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 36' ' ' MET . 6.9 t -51.27 -29.71 15.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.179 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.09 -51.01 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.41 111.131 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -61.91 -32.57 72.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 111.063 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 38' ' ' VAL . 4.8 mt-10 -73.21 -35.27 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.16 12.81 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.96 -179.62 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 73.4 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.08 142.46 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 54.53 111.068 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t 52.04 36.27 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 72.15 110.877 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' HG22 ' A' ' 49' ' ' VAL . 16.5 tt0 -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.908 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -84.0 -29.62 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG22 ' HG2' ' A' ' 47' ' ' GLN . 9.0 m -78.92 -32.19 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.111 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.573 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -45.22 -37.54 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.875 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.75 -48.24 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.886 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 52' ' ' LEU . 6.1 tt -73.01 -30.36 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -60.37 -46.93 88.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.03 110.879 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 41' ' ' ALA . 8.1 mt -76.69 -31.63 57.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.933 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -67.2 -50.22 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 71.13 110.817 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 60' ' ' VAL . 3.2 mttm -68.5 -37.99 80.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -64.84 -36.95 93.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.462 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -31.59 58.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 75.33 110.889 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -70.82 -59.01 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 61' ' ' LEU . 21.8 m -50.25 -31.54 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.32 111.144 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 57' ' ' GLY . 6.0 mp -74.74 -38.31 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.946 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.33 -27.33 56.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 62.02 110.859 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -75.66 -45.86 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.56 59.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.53 111.08 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -75.72 -24.72 56.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 52.54 110.857 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -53.36 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.827 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.449 HD21 HG21 ' A' ' 11' ' ' ILE . 3.3 pp -70.38 -37.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 71.21 110.886 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -63.22 -26.83 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 60.1 111.102 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mm-40 -80.57 -23.3 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.91 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -47.69 -51.85 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.52 -35.23 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 72.42 111.106 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 ' CE2' ' A' ' 23' ' ' TYR . 17.2 mt -68.79 -50.83 47.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.14 110.916 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.53 -27.38 67.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 72.21 110.935 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.785 0.326 . . . . 74.53 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.55 65.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 43.21 112.507 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t -154.11 149.28 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 71.34 111.126 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.505 HG22 ' CE2' ' A' ' 8' ' ' PHE . 48.4 mm -51.66 -40.35 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 51.33 111.115 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.71 -30.02 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.899 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -32.81 74.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.865 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.29 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.44 111.123 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -70.94 -32.1 68.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -78.12 -33.3 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.887 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.29 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -50.62 -28.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.43 111.113 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.3 -33.69 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -28.93 59.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.893 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.87 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.072 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -62.72 -37.08 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.115 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -63.16 -23.53 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 35.04 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.32 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.33 111.121 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 52.55 47.75 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD12 ' A' ' 71' ' ' ILE . 6.5 t-20 -130.61 169.64 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.6 56.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.22 -61.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 55.21 112.473 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -21.8 40.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 73.23 110.87 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.53 -28.39 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -73.55 -37.96 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -75.69 -22.67 56.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.69 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.44 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 68' ' ' ALA . 32.2 mt -72.7 -28.68 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -51.57 -30.24 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -52.09 17.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.914 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HD2' HD23 ' A' ' 27' ' ' LEU . 8.6 m-85 -62.98 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 61' ' ' LEU . 1.1 mt -57.14 -33.96 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 65.51 110.962 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.21 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.858 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.57 90.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.8 -54.12 6.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 73.11 112.498 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -57.77 -23.04 50.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 40.22 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.627 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.66 -34.48 64.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.857 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CD1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.28 -26.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 65.45 111.123 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.88 -31.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.124 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 36' ' ' MET . 13.4 t -60.7 -31.43 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 63.02 111.156 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -49.27 77.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . . . -69.78 -29.07 66.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.1 111.086 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.72 -18.34 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.855 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -99.74 -18.71 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.928 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.42 -176.6 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.75 155.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 60.54 111.065 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.1 26.46 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -108.79 136.03 49.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 63.55 110.894 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -71.38 -32.66 68.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 47' ' ' GLN . 18.5 m -77.53 -30.82 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.123 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.49 -52.29 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.92 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -57.82 -27.44 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.7 tp -78.28 -35.47 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 65.12 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 37' ' ' ILE . 2.4 mm? -55.28 -48.55 73.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.34 -51.36 20.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.92 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -51.62 -43.69 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 60.31 110.858 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -74.26 -31.05 62.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 65.4 110.883 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.61 28.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 41.4 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -20.23 65.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 74.24 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -60.26 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.899 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.9 m -50.44 -30.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.08 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 31' ' ' LEU . 3.0 mp -67.62 -54.02 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.913 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.21 -30.02 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.888 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m0 -74.57 -46.05 41.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.33 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 53.31 111.109 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.08 -22.65 55.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 74.15 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -54.28 17.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.836 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.9 pp -70.18 -32.28 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.933 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.708 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -64.31 -35.01 79.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.116 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.98 -21.68 40.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.885 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -45.09 -36.44 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.909 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASN . 5.5 pt -50.74 -44.41 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.32 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.95 -40.79 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.41 -30.09 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.51 110.887 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 70.43 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.22 19.22 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 71.12 112.477 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -136.58 146.37 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.737 0.303 . . . . 61.04 111.125 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.3 mm -51.69 -40.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 53.44 111.131 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -29.97 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.88 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.24 -31.37 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.81 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -50.86 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 70.15 111.089 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.9 m-85 -65.72 -32.12 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.881 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -78.38 -34.76 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.846 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.95 -26.5 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 42.45 111.066 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.715 HD13 ' CD1' ' A' ' 30' ' ' PHE . 6.5 tp -50.77 -28.38 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 70.15 111.13 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.31 -36.6 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 55.45 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -28.96 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.847 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -50.8 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.13 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -70.04 -33.69 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.13 111.176 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -60.81 -23.83 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.64 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 45.2 111.051 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 58.03 36.59 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.87 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 71' ' ' ILE . 17.0 t-20 -134.65 164.28 27.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.3 110.926 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -114.16 48.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.73 -66.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 74.44 112.481 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -81.81 -19.8 40.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 74.55 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 71' ' ' ILE . 1.6 p90 -49.22 -28.84 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 62.14 110.905 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -43.37 62.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.893 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.54 -23.37 53.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 64.2 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -33.43 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 72.12 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 68' ' ' ALA . 11.6 mt -72.14 -28.61 63.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.96 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -30.93 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.903 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -67.51 -40.92 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.865 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.715 ' CD1' HD13 ' A' ' 11' ' ' ILE . 36.4 t80 -66.93 -42.49 85.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.862 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.13 -32.38 71.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 51.12 110.9 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.48 -37.41 53.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 74.02 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.689 ' HA3' HD11 ' A' ' 61' ' ' LEU . . . -57.43 -29.6 60.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.802 -0.714 . . . . 54.03 112.471 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.97 -17.43 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 71.04 110.93 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 mmt -68.55 -44.17 75.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 tt -80.03 -26.12 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 70.23 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 34' ' ' GLY . 89.1 t -73.63 -53.1 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.138 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -51.29 -29.96 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.52 111.113 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.83 64.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 41.12 111.093 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.57 -43.13 57.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.108 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.27 -55.19 36.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.906 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -25.29 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.33 110.934 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -90.85 -178.09 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.66 -38.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 71.44 111.107 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -96.66 54.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.576 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.8 tp-100 -136.17 136.86 40.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 73.1 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -79.01 -31.21 44.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' HG3' ' A' ' 47' ' ' GLN . 24.3 m -77.57 -32.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.125 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.38 -42.67 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.843 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -57.09 -49.52 75.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.52 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.71 -29.66 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 54.34 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -57.42 -42.35 82.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.23 110.922 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.55 -45.06 32.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 62.13 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -57.48 -48.41 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.888 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -72.17 -38.12 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 72.12 110.901 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.583 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -65.48 -35.93 91.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 74.24 112.523 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.01 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 71.13 110.88 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.95 -55.07 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.86 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -51.26 -31.37 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.52 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HA3' ' A' ' 34' ' ' GLY . 2.7 mp -67.75 -53.57 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.68 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.86 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -73.99 -40.53 62.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 65.23 110.958 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -54.76 -33.51 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 61.42 111.112 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.72 -22.95 56.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -52.66 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.822 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.1 pp -70.33 -32.54 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 27' ' ' LEU . . . -63.93 -35.51 80.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.081 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.8 -21.45 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 60.32 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -44.85 -36.66 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 62.42 110.906 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 23' ' ' TYR . 6.3 pt -50.25 -44.25 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 61.41 111.154 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.11 -42.26 63.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.917 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.65 -31.58 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.03 110.845 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 74.44 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.64 68.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 74.41 112.503 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p -143.64 175.67 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 72.33 111.164 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.49 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 63.13 111.107 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.1 -42.05 97.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 43.15 110.823 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -26.49 49.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.42 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -69.44 -52.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 55.41 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -51.09 -32.48 22.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.88 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -68.01 -42.07 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.873 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.63 67.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.084 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 30' ' ' PHE . 41.4 mm -51.1 -47.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.137 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.89 -34.85 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -36.08 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.84 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . . . -57.72 -50.99 71.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.3 111.072 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -33.03 60.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.107 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.95 -23.77 34.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.24 110.957 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -46.67 53.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.097 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 59.94 20.68 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -174.16 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.28 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.878 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.76 -89.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 63.45 112.529 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -80.49 -20.03 44.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 53.22 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -48.45 -28.8 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.918 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -46.98 64.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.894 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.77 -25.99 56.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 71.14 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.594 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -67.02 -49.89 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 62.45 111.09 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.91 -35.52 80.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -41.87 75.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 63.31 110.947 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -25.9 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 64.44 110.853 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 7' ' ' ALA . 1.3 t80 -69.48 -46.4 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.914 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.14 -40.66 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.58 -30.65 66.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.833 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.48 -35.83 28.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.466 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -57.91 -43.84 94.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.7 -0.762 . . . . 74.02 112.526 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.46 -27.8 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 74.54 110.891 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.693 ' O ' HG22 ' A' ' 39' ' ' THR . 72.1 mmm -55.91 -28.65 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 42.54 110.887 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.706 HG13 HD23 ' A' ' 53' ' ' LEU . 12.6 tt -80.08 -24.83 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.23 111.139 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.733 HG12 ' HG3' ' A' ' 42' ' ' GLU . 59.5 t -69.47 -40.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.114 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 36' ' ' MET . 6.0 t -50.74 -29.89 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.131 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -75.74 -39.06 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.093 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.8 -35.9 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.04 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.733 ' HG3' HG12 ' A' ' 38' ' ' VAL . 9.5 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -21.39 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.935 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -100.18 -176.18 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.12 137.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 53.23 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t 60.37 26.68 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 70.14 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -99.14 146.46 26.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 70.43 110.909 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -68.9 -37.33 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.879 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 53' ' ' LEU . 32.4 m -77.3 -32.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.135 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -35.7 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -75.23 -31.21 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.87 -32.66 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 64.13 110.922 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -62.9 -47.22 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.889 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' ALA . 13.5 mt -76.05 -43.25 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.916 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -60.74 -47.93 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 60' ' ' VAL . 32.4 mmtp -74.33 -34.82 63.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -67.52 -35.23 86.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 34.41 112.51 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -32.03 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 74.54 110.892 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -70.05 -55.29 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.7 m -51.32 -31.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.134 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 30' ' ' PHE . 36.4 mt -74.51 -35.8 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 72.22 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -79.25 -29.16 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -75.63 -46.91 28.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.93 -31.75 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.22 111.087 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -76.05 -23.91 55.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -54.2 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.852 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 41.54 110.927 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.7 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.3 111.063 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.17 -21.45 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 65.52 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -44.8 -36.62 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 62.24 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.5 -44.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 73.45 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -41.71 63.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.922 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.85 -29.98 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 53.13 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 62.43 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.833 0.349 . . . . 75.12 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.84 148.95 4.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.498 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 t -150.72 148.24 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 61.2 111.18 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.1 mm -51.54 -42.74 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.2 111.148 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.37 -30.09 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.853 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.48 -35.92 82.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.16 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.5 m-85 -73.22 -32.08 64.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.871 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -76.47 -31.87 58.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.855 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.76 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 62.55 111.134 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 67' ' ' LEU . 1.7 tp -51.64 -28.31 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.129 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.27 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -28.7 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.71 -50.75 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 51.13 111.054 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 67' ' ' LEU . 1.3 tt -68.31 -36.89 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.42 111.116 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.27 -23.31 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HB1' ' HG2' ' A' ' 20' ' ' GLU . . . -64.69 -56.56 12.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.121 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 62.88 15.59 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.9 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 176.92 88.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.551 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 57.7 mm-40 -155.9 -75.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.49 7.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.2 112.513 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -60.36 -18.19 48.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 74.44 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 16.9 p90 -45.86 -32.21 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.918 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -45.43 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 71.41 110.885 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.47 -30.39 57.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.072 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD13 ' OE1' ' A' ' 65' ' ' GLU . 26.5 mt -52.98 -28.74 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 65.24 110.906 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -61.35 -32.79 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.929 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -37.89 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.55 110.84 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 11' ' ' ILE . 16.3 m-85 -72.02 -40.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -37.38 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -19.29 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.36 -40.78 91.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 54.52 112.51 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -75.88 -38.8 35.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 75.32 112.446 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' A' ' 61' ' ' LEU . 2.4 mm-40 -62.25 -17.23 57.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 64.12 110.876 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 39' ' ' THR . 0.9 OUTLIER -65.1 -48.51 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.909 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 34' ' ' GLY . 12.3 tt -55.52 -25.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.31 111.093 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 42' ' ' GLU . 45.2 t -56.41 -39.51 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.1 111.117 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 36' ' ' MET . 6.8 t -51.62 -30.31 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.46 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.078 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.62 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.77 -45.97 40.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 62.32 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.1 mt-10 -56.37 -55.69 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.54 110.878 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -25.09 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.2 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -91.49 -176.51 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 64.32 110.863 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.5 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.54 111.098 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -94.59 49.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 54.04 110.839 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.577 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.5 tp-100 -126.01 136.47 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.888 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -79.19 -30.8 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' HG3' ' A' ' 47' ' ' GLN . 28.9 m -77.85 -32.78 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.145 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.58 -45.32 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.45 110.894 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -53.42 -48.92 68.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.843 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.42 -29.64 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.32 -42.57 87.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 41' ' ' ALA . 7.3 mt -76.42 -50.33 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.893 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.14 -41.18 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.813 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -68.7 -32.58 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.934 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' HD13 ' A' ' 61' ' ' LEU . . . -69.15 -52.58 22.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 62.33 112.499 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -22.14 65.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.753 0.311 . . . . 75.35 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -60.64 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.9 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -51.14 -30.87 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.15 111.156 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 57' ' ' GLY . 5.3 mp -62.75 -47.39 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 63.3 110.921 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -79.63 -30.02 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -69.88 -45.79 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 62.13 110.904 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.54 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.22 111.081 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE1' HD13 ' A' ' 27' ' ' LEU . 2.4 mt-10 -76.0 -22.58 55.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 71.51 110.902 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -52.68 27.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 52.12 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 11' ' ' ILE . 1.8 pp -70.12 -32.59 70.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -64.15 -36.09 82.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 35.14 111.124 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE1' HD13 ' A' ' 72' ' ' LEU . 5.4 mm-40 -81.44 -22.44 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -35.94 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.942 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.6 pt -50.93 -44.17 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 73.02 111.102 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -73.47 -40.0 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.948 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.8 -30.81 46.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.874 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.52 110.861 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 73.41 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.77 90.32 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 63.02 112.477 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 p -129.2 145.71 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 53.44 111.164 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.504 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.8 mm -51.67 -42.7 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.43 111.135 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.45 -30.0 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.88 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.81 -34.48 77.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.832 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.8 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.091 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' ILE . 7.2 m-85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.863 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -78.28 -33.26 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.845 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.74 -26.21 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 30.14 111.126 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' CD1' ' A' ' 30' ' ' PHE . 4.3 tp -50.69 -28.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.095 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.44 -33.29 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 52.4 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -29.04 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.889 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -47.83 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.07 -33.64 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.162 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.79 -24.99 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.23 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -51.5 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.085 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 71' ' ' ILE . 2.9 mt-10 61.05 57.05 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.894 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 63.25 96.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.909 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -157.77 -48.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.919 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.5 2.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 75.22 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -26.0 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 74.55 110.857 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -52.02 -31.97 32.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.978 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -47.27 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.841 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -74.97 -25.63 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.902 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.6 89.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 51.32 111.106 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.0 mt -64.99 -28.69 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.44 110.938 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -46.05 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 71.41 110.904 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.14 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.889 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' HD13 ' A' ' 11' ' ' ILE . 12.4 t80 -77.51 -41.74 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.908 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.35 -31.07 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.927 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -28.01 64.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.876 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.59 -44.64 12.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.449 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -56.24 -29.02 55.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 74.53 112.516 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -77.83 -17.18 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 71.44 110.846 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 4' ' ' ILE . 2.5 mmt -72.09 -39.95 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.854 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 tt -79.33 -26.06 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.147 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 34' ' ' GLY . 96.9 t -72.22 -51.05 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 71.24 111.159 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -51.33 -30.18 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.115 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.2 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.54 111.112 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -69.62 -30.98 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 34.52 111.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mt-10 -76.28 -33.98 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.15 110.865 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -86.09 -24.22 26.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -85.97 -176.65 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 52.54 110.898 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.57 149.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 27.66 15.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.836 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 139.33 43.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.927 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -74.36 -33.46 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.62 -36.19 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 63.21 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.578 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.63 -41.83 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.855 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.9 -47.97 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.3 tm? -69.82 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.943 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -56.54 -41.51 76.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 71.13 110.927 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.52 -51.33 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.95 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 5.4 t60 -52.35 -45.06 65.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.85 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.6 mmtt -75.76 -21.12 57.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.941 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.36 -53.95 12.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 71.33 112.514 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.68 -19.42 57.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 63.45 110.906 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -75.13 -60.62 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 56' ' ' LYS . 31.3 m -51.8 -30.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.54 111.117 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 58' ' ' LYS . 40.0 mt -69.04 -52.72 25.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.78 -31.2 70.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.855 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -75.65 -38.69 58.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 11' ' ' ILE . . . -62.86 -29.29 70.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.094 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.69 -22.52 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.3 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.53 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 73.55 110.813 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 11' ' ' ILE . 1.9 pp -70.33 -32.77 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.864 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.34 77.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.104 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.06 -21.72 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 45.02 110.836 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -44.87 -36.57 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.34 110.876 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.7 pt -50.43 -44.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.52 111.126 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 63.55 110.947 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.04 -31.05 28.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 71.2 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.839 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.818 0.342 . . . . 61.25 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.73 66.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 63.02 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -134.79 148.19 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.322 . . . . 62.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.66 -38.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.117 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -30.23 45.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.841 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.76 -30.87 71.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.825 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -66.35 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 60.5 111.091 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' ILE . 10.9 m-85 -66.12 -32.09 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.955 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -78.14 -33.66 50.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 65.23 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.21 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 72.22 111.087 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 8' ' ' PHE . 6.1 tp -50.69 -28.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 63.52 111.135 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -37.57 81.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 61.55 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -28.92 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.862 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -50.71 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -71.26 -33.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 71.11 111.076 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.92 -22.95 66.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.32 110.947 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.74 38.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.51 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.09 108.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.35 87.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -162.57 -177.9 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 7.28 3.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 71.03 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -20.57 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 72.2 110.897 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 15.9 p90 -48.27 -30.32 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.95 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.89 -45.8 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.845 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -26.54 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 54.52 110.878 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -41.55 57.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.23 -28.77 65.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 62.03 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -51.72 -45.68 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.893 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -60.72 -28.43 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.84 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 18.9 t80 -77.94 -40.73 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 61' ' ' LEU . 3.5 mm? -59.82 -30.22 68.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.926 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -24.98 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.825 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -51.44 6.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 52.22 112.506 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -55.23 -32.25 57.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 51.13 112.473 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.93 -23.26 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 64.53 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.689 ' O ' HG22 ' A' ' 39' ' ' THR . 2.5 mmm -73.65 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.31 110.842 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -26.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.54 111.132 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 34' ' ' GLY . 91.2 t -66.59 -38.8 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.096 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 36' ' ' MET . 5.9 t -51.28 -29.61 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.102 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -37.5 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 60.31 111.105 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.78 -45.16 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 53.12 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.6 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -22.6 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.898 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -91.08 -178.83 5.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.935 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.65 -50.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 53.1 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.89 48.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.852 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.3 tp60 -125.65 132.46 52.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 71.55 110.886 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -78.52 -29.36 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.3 m -77.61 -31.9 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.113 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.528 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.57 -46.06 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.852 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -52.53 -48.46 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.901 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.0 -29.53 62.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 64.43 110.929 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 50' ' ' ARG . 1.2 mp -58.75 -42.58 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.86 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 41' ' ' ALA . 4.8 mt -76.49 -51.17 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.88 -39.88 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.855 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.63 ' O ' HG13 ' A' ' 60' ' ' VAL . 15.0 mmtt -68.98 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.893 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.62 -52.41 25.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.717 . . . . 65.23 112.525 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -24.23 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 75.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -79.22 -60.83 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 56' ' ' LYS . 21.8 m -51.25 -30.37 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.109 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 31' ' ' LEU . 46.1 mt -73.62 -37.12 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.87 -32.09 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 64.15 110.871 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -75.67 -41.59 53.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.4 110.96 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.74 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 65.31 111.094 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.02 -24.68 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.887 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.38 -54.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.22 -32.94 71.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 71.2 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.48 78.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.099 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.9 -21.77 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.95 -36.87 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 73.2 110.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' HG ' ' A' ' 72' ' ' LEU . 5.9 pt -50.38 -44.22 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 70.22 111.196 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.07 -40.8 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.924 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -30.48 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.898 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.31 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.825 0.345 . . . . 74.03 110.858 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.65 54.36 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 72.24 112.46 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p -138.49 152.33 48.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 75.13 111.146 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.45 -30.92 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 64.21 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -30.03 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.88 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.47 -23.65 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 53.3 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.07 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 63.53 111.118 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -50.81 -47.92 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.93 -34.99 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.876 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -33.8 67.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.21 111.061 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.637 HD11 ' CD1' ' A' ' 30' ' ' PHE . 37.5 mm -53.18 -47.28 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.129 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -28.94 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 42.12 110.849 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.08 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.078 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.04 111.138 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.23 -45.46 76.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.104 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 71' ' ' ILE . 1.2 mt-10 63.56 35.2 11.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.01 110.872 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' O ' HD13 ' A' ' 71' ' ' ILE . 55.9 t30 -141.23 160.32 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.871 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -117.53 110.7 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 63.51 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.84 -115.82 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 75.53 112.496 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -65.66 -22.06 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 75.31 110.863 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -51.35 -30.61 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.891 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 71.51 110.854 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.18 -31.41 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.878 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.68 62.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.31 111.116 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' ALA . 7.2 mt -53.35 -36.69 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 54.32 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -52.97 -28.83 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.891 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -37.35 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.02 110.893 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CD1' HD11 ' A' ' 11' ' ' ILE . 51.7 t80 -61.45 -47.34 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.83 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.75 -36.63 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 55.34 110.957 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -49.87 -49.26 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.849 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.45 -25.95 74.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 61.04 112.509 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -56.36 -29.21 56.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 51.53 112.471 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.97 -23.04 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 75.02 110.903 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.3 mmt -72.72 -28.07 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.927 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 57' ' ' GLY . 3.9 tp -71.03 -27.25 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.123 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.85 -54.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 70.04 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -49.18 -45.1 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.51 111.161 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.32 111.121 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.735 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -74.97 -49.93 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 62.24 111.103 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.24 -54.12 44.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 74.1 110.932 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -28.61 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.856 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -99.86 -169.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.16 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -94.02 40.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 61.51 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' CG ' HG22 ' A' ' 49' ' ' VAL . 1.2 tp-100 -123.35 137.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -35.26 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.892 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 47' ' ' GLN . 18.1 m -75.59 -30.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 75.23 111.127 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -51.28 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 62.34 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.4 -27.47 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.33 -30.0 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.913 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 40' ' ' ALA . 80.0 mt -59.72 -46.3 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.938 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD11 ' HB1' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -76.16 -41.45 49.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.915 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -51.41 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.834 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 60' ' ' VAL . 4.9 mtmp? -75.9 -34.06 59.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.2 110.905 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 37' ' ' ILE . . . -63.32 -40.77 99.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.761 . . . . 54.41 112.496 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.39 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 73.41 110.857 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.58 -56.41 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 65.33 110.881 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 56' ' ' LYS . 32.6 m -52.03 -31.57 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 53.24 111.13 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.31 62.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.32 -32.63 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.873 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -76.09 -47.37 24.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 64.25 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.66 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.43 111.061 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -76.65 -32.23 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -55.47 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD11 ' CG2' ' A' ' 11' ' ' ILE . 3.6 pp -70.41 -38.64 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.954 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -62.16 -26.9 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 61.52 111.085 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.69 -23.42 39.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.88 -51.74 21.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HA ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -50.74 -35.12 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.13 111.124 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 71' ' ' ILE . 13.1 mt -71.09 -48.21 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.1 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -58.37 -29.11 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 62.24 110.937 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 65.43 110.836 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 63.34 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.79 67.55 0.41 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 70.5 112.547 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -156.2 148.37 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 75.44 111.15 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 8' ' ' PHE . 49.2 mm -51.55 -43.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 60.43 111.137 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.85 -30.13 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.839 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.71 -36.75 81.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.808 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.27 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 63.23 111.077 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 11' ' ' ILE . 8.8 m-85 -61.14 -32.09 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.884 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -78.13 -33.5 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 51.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.56 57.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 72.52 111.069 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.661 HD11 ' HB1' ' A' ' 64' ' ' ALA . 6.2 tp -50.74 -28.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 62.21 111.173 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -30.56 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.855 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . . . -61.56 -51.3 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 63.25 111.087 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -74.17 -33.28 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 64.53 111.117 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -62.64 -23.25 66.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.92 -59.41 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.11 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 43.75 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 70.04 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -91.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.34 110.867 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 172.2 104.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 64.34 110.883 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.97 -37.94 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 74.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -27.91 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 62.41 110.87 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 71' ' ' ILE . 9.5 m-85 -57.4 -28.78 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.873 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -55.73 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 75.42 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -22.5 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 14' ' ' ALA . . . -75.6 -49.89 17.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 71.54 111.091 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -57.99 -28.28 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 54.44 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -50.29 -31.48 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -43.37 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.874 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CD1' HD13 ' A' ' 11' ' ' ILE . 23.3 t80 -66.34 -41.77 89.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -30.15 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.911 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.67 -45.03 72.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 74.31 110.837 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.26 89.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 60.13 112.506 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -54.31 -37.36 59.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 71.14 112.489 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.29 -17.86 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 64.22 110.907 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.0 mmm -70.48 -29.08 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 64.52 110.816 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.671 HG13 HD23 ' A' ' 53' ' ' LEU . 8.5 tt -79.77 -25.22 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.02 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.767 HG12 ' HG3' ' A' ' 42' ' ' GLU . 48.4 t -75.02 -49.98 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.154 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -50.47 -30.66 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.11 67.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.091 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.91 -50.84 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.15 111.088 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.767 ' HG3' HG12 ' A' ' 38' ' ' VAL . 1.2 mm-40 -55.15 -53.1 60.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 62.33 110.882 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -61.57 -25.33 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -91.79 -177.55 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.61 140.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.14 111.086 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t 63.36 25.93 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 54.45 110.866 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 139.94 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.41 110.953 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -69.81 -34.47 73.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.22 -31.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 70.32 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.52 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -51.38 -34.9 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 65.04 110.867 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.16 -34.37 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.898 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -30.27 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.671 HD23 HG13 ' A' ' 37' ' ' ILE . 1.3 mt -63.15 -45.21 92.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.923 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.09 -30.18 58.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.45 110.899 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 45.1 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.0 mmtm -70.57 -27.95 64.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.3 110.894 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.85 -52.45 24.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 53.11 112.465 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -23.17 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 65.33 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.08 -60.68 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.34 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LYS . 22.3 m -51.23 -30.46 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.085 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.75 -48.65 45.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.952 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.2 -27.18 64.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -55.09 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -55.53 -29.77 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.42 111.101 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -22.27 54.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.898 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -55.08 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.889 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 HD13 ' A' ' 15' ' ' ILE . 3.9 pp -70.11 -40.94 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 60.52 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 67' ' ' LEU . . . -62.91 -26.98 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 51.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 -80.01 -23.15 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.874 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -46.45 -51.83 14.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 23' ' ' TYR . 1.2 pp -51.24 -38.16 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.21 111.107 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 69' ' ' GLU . 7.5 mt -72.12 -41.75 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 60.52 110.941 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.23 -30.39 70.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.23 110.888 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.907 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.836 0.351 . . . . 64.41 110.897 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.4 178.03 39.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.21 112.478 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -133.49 148.63 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.289 . . . . 71.15 111.181 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.47 -36.78 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 71.01 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -52.78 -30.11 31.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.1 -32.71 73.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.858 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.82 -53.45 26.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.14 111.107 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.71 -41.38 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -57.85 -33.5 68.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.52 -39.18 58.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.081 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 67' ' ' LEU . 60.4 mt -51.19 -49.65 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.097 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -51.75 -38.11 54.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -28.73 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.831 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.66 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 45.12 111.122 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -60.15 -32.71 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.15 111.142 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -22.92 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . . . -47.92 -47.54 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 64.1 111.113 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 59.83 63.11 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -178.24 -172.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.875 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.56 105.44 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.88 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.86 -62.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 73.25 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -22.16 39.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 65.42 110.859 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.664 ' CZ ' HG21 ' A' ' 71' ' ' ILE . 19.4 m-85 -50.6 -49.71 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.867 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -51.88 -39.52 59.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -43.98 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 70.34 110.841 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.8 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.061 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' HG2' ' A' ' 65' ' ' GLU . 40.6 mt -58.11 -30.59 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.14 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -27.33 66.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.894 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -45.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 17.8 m-85 -59.24 -44.94 92.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' A' ' 61' ' ' LEU . 1.2 mp -58.31 -36.64 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 34.43 110.947 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.37 -33.76 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.24 110.863 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.35 -46.35 34.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.498 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA3' HD21 ' A' ' 61' ' ' LEU . . . -55.92 -33.98 61.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 43.14 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.63 -17.48 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 54.41 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.14 -39.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.858 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 34' ' ' GLY . 9.6 tp -79.65 -24.98 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.25 -53.4 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.3 111.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.83 -38.0 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.109 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.42 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 64.31 111.074 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -74.69 -46.76 35.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.109 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.66 -52.48 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.74 -25.3 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.27 -177.31 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.875 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.05 -44.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 42.5 111.126 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 t -91.56 45.89 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.874 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 49' ' ' VAL . 2.5 tp60 -126.11 130.74 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -29.94 56.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.9 m -77.51 -31.94 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.54 111.141 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -43.24 -43.68 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -57.26 -49.59 75.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.28 -29.81 66.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 64.41 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -59.05 -46.84 87.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.964 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 41' ' ' ALA . 1.4 mt -76.31 -40.14 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 60.42 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.27 -49.71 76.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.4 110.854 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.633 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.7 mtmt -74.21 -32.41 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.663 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -69.26 -35.06 76.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 44.34 112.445 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -32.55 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.707 0.289 . . . . 71.05 110.85 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.05 -60.59 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.1 p -51.19 -30.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 72.14 111.12 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.806 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.1 mm? -62.98 -46.2 88.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.51 110.929 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.29 -26.92 35.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -67.53 -52.81 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' HD13 ' A' ' 11' ' ' ILE . . . -55.18 -31.22 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.02 111.118 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.606 ' HG2' HD22 ' A' ' 27' ' ' LEU . 4.9 mt-10 -76.86 -21.84 54.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.857 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -56.5 -54.26 47.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.1 110.837 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.458 HD13 ' HB ' ' A' ' 15' ' ' ILE . 3.8 pp -69.25 -40.88 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.74 -26.6 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 65.2 111.132 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 mm-40 -80.35 -23.79 40.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.877 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -46.31 -51.66 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.907 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.664 HG21 ' CZ ' ' A' ' 23' ' ' TYR . 1.5 pp -52.3 -39.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.21 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 69' ' ' GLU . 9.9 mt -67.98 -47.98 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 43.34 110.929 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.7 -29.44 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.878 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 64.03 110.894 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.88 0.372 . . . . 50.12 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.01 67.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 72.5 112.459 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -156.17 148.49 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 64.41 111.12 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 8' ' ' PHE . 47.9 mm -51.94 -43.25 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.122 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.89 -30.04 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.72 -35.79 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -65.65 -52.97 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.567 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.3 m-85 -53.99 -32.05 52.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -76.17 -30.94 58.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.854 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.31 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.079 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -50.64 -28.52 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.42 111.104 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.84 -32.64 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -34.97 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.12 110.88 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -50.83 71.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.41 111.098 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -68.94 -32.97 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.133 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.38 -23.58 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.903 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.38 -40.6 36.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 62.45 111.143 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 61.23 20.71 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -178.5 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.886 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.45 91.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.25 -80.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 43.03 112.47 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -20.33 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 71.25 110.862 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -50.67 -28.32 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.943 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -39.1 64.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 74.52 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.876 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . . . -63.17 -49.99 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 41.01 111.099 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -34.12 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.919 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -78.34 -43.52 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' A' ' 11' ' ' ILE . 6.5 m-85 -61.68 -44.28 97.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.859 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 ' HA ' HD22 ' A' ' 61' ' ' LEU . 2.1 mp -60.87 -33.18 72.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 63.21 110.947 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -71.56 -42.22 68.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.818 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.68 94.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 72.54 112.477 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -60.39 -29.27 68.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 61.34 112.497 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.92 -17.2 53.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 62.53 110.905 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -38.44 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.497 HD11 ' HG ' ' A' ' 53' ' ' LEU . 12.5 tt -77.05 -25.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.23 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 34' ' ' GLY . 97.2 t -64.53 -53.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 62.31 111.141 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -54.69 -30.08 54.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 75.12 111.146 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.92 77.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 64.34 111.12 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -73.21 -37.18 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 73.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.14 -50.46 63.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -25.35 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.927 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.29 -177.3 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.42 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -172.24 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -85.98 53.37 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.896 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 49' ' ' VAL . 1.6 tp60 -141.75 136.26 30.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.41 110.94 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -31.73 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.849 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 47' ' ' GLN . 16.2 m -77.11 -31.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.52 111.136 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.675 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -42.71 -37.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.932 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -67.43 -50.37 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.31 110.898 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.37 -29.32 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.985 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.909 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -75.77 -47.2 26.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.23 110.93 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.81 -50.21 69.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.21 110.846 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.608 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.4 mtpm? -76.0 -20.97 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.56 -53.03 8.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 62.45 112.51 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -75.15 -18.31 60.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 55.0 110.928 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -60.82 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 54.31 110.877 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 56' ' ' LYS . 20.2 m -51.57 -30.72 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.03 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.701 HD11 ' HA3' ' A' ' 34' ' ' GLY . 30.6 mt -73.98 -36.68 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.45 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -30.93 46.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.873 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -75.8 -36.4 59.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.919 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' HD11 ' A' ' 11' ' ' ILE . . . -64.47 -29.88 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.41 111.178 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.4 -22.54 54.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.858 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -56.1 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 71.52 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.7 pp -70.16 -30.76 67.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.931 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.17 80.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.34 111.095 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.1 -21.47 39.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.87 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -44.79 -36.56 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.7 pt -50.43 -44.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 51.22 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -41.87 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 70.42 110.928 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -60.33 -27.72 67.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 70.23 110.888 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.842 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 71.32 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.54 87.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 71.33 112.512 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -172.14 160.16 5.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 72.32 111.183 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -26.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.14 111.127 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.54 -35.12 78.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.863 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.1 -38.11 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.867 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.14 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 41.31 111.111 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.6 ' O ' HG22 ' A' ' 11' ' ' ILE . 21.7 m-85 -60.21 -31.99 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 -78.19 -34.96 49.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . . . -75.89 -26.17 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 60.11 111.111 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 HD11 ' A' ' 67' ' ' LEU . 2.9 tt -50.62 -28.4 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.13 111.141 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.88 -37.66 79.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.93 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -29.06 60.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.886 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.94 66.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.41 111.142 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -64.35 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.135 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.96 -23.55 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.872 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.36 -43.93 61.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 63.03 111.084 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 51.98 54.45 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.88 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' HD12 ' A' ' 71' ' ' ILE . 25.8 t30 -126.93 175.72 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -134.3 38.09 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.888 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.53 -53.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 60.24 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -81.35 -21.39 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 74.24 110.881 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.8 p90 -53.36 -31.93 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 54.31 110.965 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -29.71 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.895 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -33.79 60.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.83 87.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 41.54 111.122 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 30' ' ' PHE . 18.6 mt -60.4 -28.57 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.892 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -51.53 -34.9 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.931 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -72.67 -33.76 66.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.848 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HE1' ' HB3' ' A' ' 10' ' ' ALA . 25.5 m-85 -76.95 -38.37 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.841 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HA ' HD11 ' A' ' 61' ' ' LEU . 3.3 mp -53.83 -40.51 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.895 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -71.77 -22.09 61.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.8 60.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 71.14 112.493 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.711 ' O ' HG22 ' A' ' 37' ' ' ILE . . . -73.1 -56.55 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 64.13 112.502 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.0 -24.82 7.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 74.12 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.688 ' O ' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -58.51 -28.86 65.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.85 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 34' ' ' GLY . 13.4 tt -79.32 -25.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 60.4 111.125 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG12 ' HG3' ' A' ' 42' ' ' GLU . 92.1 t -61.73 -43.89 97.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.129 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 36' ' ' MET . 8.6 t -51.26 -29.76 15.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 63.31 111.125 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.18 -42.83 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.42 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB1' ' HG2' ' A' ' 50' ' ' ARG . . . -74.77 -28.55 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 61.42 111.109 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.644 ' HG3' HG12 ' A' ' 38' ' ' VAL . 2.0 mm-40 -79.29 -23.82 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.881 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.34 -24.13 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -100.89 -175.03 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -174.38 155.03 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 35.44 111.078 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t 63.24 34.4 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.04 110.87 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.45 146.31 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.31 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -78.72 -33.65 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -78.05 -36.74 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.102 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -43.63 -44.73 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.31 110.88 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -53.57 -48.55 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.93 -29.72 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -59.93 -43.8 94.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.954 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 mt -76.64 -43.25 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 71.15 110.932 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -59.76 -49.13 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.846 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -69.91 -36.15 75.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.559 ' O ' HD23 ' A' ' 61' ' ' LEU . . . -52.52 -49.78 50.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 42.24 112.485 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -29.86 57.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.748 0.309 . . . . 62.24 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -65.6 -60.71 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 51.52 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.7 m -51.38 -30.58 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 54.22 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 57' ' ' GLY . 2.4 mm? -69.1 -52.87 23.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.93 -27.84 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -75.82 -50.95 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.43 110.93 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.23 60.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.073 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.19 -22.55 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 63.13 110.877 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -53.62 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.12 110.867 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.0 pp -70.2 -32.74 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 70.11 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.74 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.01 111.132 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.03 -21.76 39.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.53 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -44.87 -36.34 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.958 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 23' ' ' TYR . 5.7 pt -50.37 -44.41 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -73.21 -41.83 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 55.11 110.942 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.15 -31.68 32.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.871 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.41 110.851 -180.0 . . . . . . . . 0 0 . 1 stop_ save_