data_1yxr_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 1yxr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.872 0.367 . . . . 72.4 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -34.48 64.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.901 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -37.29 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -67.8 -30.67 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 63.1 111.022 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.2 73.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.193 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -73.05 -34.22 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 55.1 111.147 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -30.75 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 72.2 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.8 -36.56 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 72.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.44 -30.75 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 73.1 111.191 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -71.56 -35.76 70.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 73.4 110.948 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -30.19 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.002 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -74.84 -45.69 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 75.2 111.208 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -58.87 -45.04 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 75.5 111.014 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.72 -36.38 80.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 73.5 110.844 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.958 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -38.46 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 70.2 110.976 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.03 -19.92 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.7 27.49 3.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.513 -0.312 . . . . 65.1 111.4 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tttt 57.38 31.12 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 64.1 111.064 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -109.04 46.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.811 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.93 -34.69 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.5 111.101 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.46 -48.08 76.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 72.1 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -40.32 91.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.02 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.169 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.61 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.3 110.952 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -78.67 -32.6 47.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.034 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.0 -49.79 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.958 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 2.4 m-85 -64.91 -39.66 93.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.964 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.96 -40.29 91.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.026 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.07 -42.47 94.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 72.3 111.011 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.12 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.2 111.207 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.54 -31.12 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -38.33 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 63.2 111.058 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.05 -32.27 64.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.023 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.32 -53.93 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 72.3 111.047 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.69 -46.07 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.87 -34.31 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.063 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.79 72.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 60.3 111.147 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -77.91 -44.67 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 74.4 111.332 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -52.61 64.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.119 -0.492 . . . . 63.3 111.034 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.08 -64.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.852 0.358 . . . . 70.1 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -87.44 82.51 7.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.035 -0.529 . . . . 70.1 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.19 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.48 -0.327 . . . . 73.0 110.978 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.1 -165.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 74.5 110.842 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.71 174.29 1.07 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.318 -0.401 . . . . 74.5 111.169 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.371 -0.377 . . . . 50.4 111.035 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.02 -45.27 93.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 74.3 111.115 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.06 61.15 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.087 -0.506 . . . . 73.5 111.277 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -47.44 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 75.4 110.957 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.59 -37.08 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 71.1 110.988 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -63.18 -47.48 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.532 . . . . 72.2 111.063 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.3 -42.02 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 74.2 110.949 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.726 0.298 . . . . 72.3 111.134 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.54 -28.15 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 55.2 111.021 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.98 -46.3 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.1 111.173 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.51 -41.75 96.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 61.5 111.274 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 73.3 111.242 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -39.44 73.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.1 110.993 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -71.01 -36.11 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 64.1 111.046 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -36.12 80.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.1 111.04 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 64.1 111.027 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.056 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.26 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.6 -32.04 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 75.3 110.911 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.44 -33.5 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 74.4 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.87 -36.77 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.037 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -66.82 -46.88 73.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.066 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -29.21 70.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 61.3 110.963 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -72.2 -49.56 34.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.213 -0.449 . . . . 74.1 111.111 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.46 -34.33 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.035 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -65.39 -46.33 80.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.058 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.022 -0.535 . . . . 71.4 111.046 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 73.4 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -49.32 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 65.1 110.948 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.34 -33.19 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 61.3 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -69.29 -39.17 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.944 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.87 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 54.3 111.251 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.81 -31.41 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -30.44 39.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 75.2 110.971 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.27 -45.28 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 72.3 110.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.14 -28.83 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 72.5 111.326 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -75.22 -33.89 61.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 64.1 111.004 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.8 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.1 110.975 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.95 29.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 63.0 111.24 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -57.91 -46.74 84.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 75.2 111.034 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.28 -42.67 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.1 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.24 -42.22 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.837 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.89 -33.19 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.974 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.27 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 53.1 111.025 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 25.96 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 71.1 111.474 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 38.69 29.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.376 -0.375 . . . . 64.5 111.095 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -107.97 46.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 50.5 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -52.17 -30.34 26.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.096 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 75.1 110.923 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -38.86 66.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.915 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.49 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.206 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -49.83 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -67.79 -36.0 79.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.953 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 71.4 111.048 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -54.11 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 74.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.61 -30.82 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 73.0 111.027 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 72.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.22 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 61.1 111.226 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.45 -31.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 75.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.33 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.088 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -73.0 -40.43 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.063 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -63.19 -44.15 96.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 72.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.62 -42.93 98.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 71.1 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.93 -30.72 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.941 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.17 81.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 71.5 111.066 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.7 mt -72.87 -44.22 58.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.056 -0.52 . . . . 61.4 111.063 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -52.8 63.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.88 0.372 . . . . 53.2 111.083 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -76.36 -64.23 1.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.894 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.35 89.84 6.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.579 . . . . 72.5 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.77 124.53 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 73.1 111.273 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -106.41 -169.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.5 110.95 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -63.34 171.73 2.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 55.4 110.764 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.89 -36.22 76.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.317 -0.401 . . . . 73.4 110.817 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.33 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 73.3 111.06 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -34.35 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 73.4 111.242 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -69.44 -33.6 73.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 74.4 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.0 -42.22 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.1 110.916 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -44.59 93.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 72.1 111.152 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.53 -35.14 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.562 . . . . 74.1 111.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -66.21 -41.39 90.21 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 115.944 -0.571 . . . . 72.1 111.099 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.07 -27.53 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 65.5 111.366 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -67.43 -50.9 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 63.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.0 p -59.35 -35.75 74.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 74.3 111.132 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.3 -36.82 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 62.2 111.29 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -35.94 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 73.1 111.017 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -71.07 -36.12 72.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 75.4 111.03 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.83 -30.2 71.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.027 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.31 70.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 64.2 111.059 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -41.53 79.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.058 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.52 94.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 72.2 111.227 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.84 -32.27 69.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.929 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -29.43 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.923 0.392 . . . . 64.4 111.254 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.43 -50.02 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 74.0 111.056 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.3 111.078 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -29.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 74.4 111.079 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.85 -49.52 14.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 64.3 111.157 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 72.4 111.436 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -43.88 89.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.156 -0.475 . . . . 72.3 111.041 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 63.5 110.577 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 72.3 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.77 -40.46 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 55.4 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.99 -33.31 71.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.955 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.35 -30.46 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 63.4 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -37.76 77.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 44.4 111.191 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.98 -30.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -30.76 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 74.5 111.02 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.74 -30.59 56.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.951 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.63 -30.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 74.2 111.182 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -73.85 -39.89 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.992 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -27.54 61.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.4 111.019 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.82 -42.44 49.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 75.5 111.25 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -66.05 -46.18 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.017 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -30.05 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 74.3 110.933 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.9 -45.12 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.14 -31.31 61.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 73.1 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -25.52 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 64.1 110.955 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.59 27.54 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 63.2 111.441 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 57.09 32.66 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 75.2 111.119 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.54 46.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.395 . . . . 64.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -50.57 -44.93 56.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 75.4 111.192 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -42.37 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.3 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -42.77 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.2 110.766 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.0 69.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.42 -49.27 78.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.953 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -32.9 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.899 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.02 -39.16 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.962 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.96 -49.05 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.996 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.15 -30.35 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.986 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.39 -43.86 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 61.4 110.953 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 61.3 111.126 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -32.67 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 70.0 111.231 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.53 -34.87 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 71.4 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -73.03 -33.54 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.06 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' HG22 ' A' ' 56' ' ' ILE . 7.8 m-85 -72.15 -42.79 65.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.3 110.973 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.5 110.987 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -64.78 -38.78 92.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 73.3 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.08 95.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.1 111.069 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.95 -49.07 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.148 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -52.99 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.5 111.011 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.78 -64.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.127 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -98.38 90.54 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 75.2 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.76 153.27 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 71.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.68 -169.2 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 75.4 110.81 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.48 169.45 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.472 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.121 -0.491 . . . . 51.5 110.931 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.73 -50.25 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.95 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.14 -35.01 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.746 -0.661 . . . . 73.5 111.207 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -67.88 -36.56 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 62.5 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -37.1 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.84 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -64.36 -45.08 89.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 61.4 111.056 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 39' ' ' PHE . 15.2 mt -70.7 -41.09 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 71.4 111.394 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.122 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.74 -29.91 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 74.4 111.068 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 30.8 mttt -70.81 -36.93 73.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.1 110.984 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.82 -34.96 79.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.87 -46.94 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 74.3 111.307 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -30.91 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.3 111.041 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 8.7 m-85 -70.98 -35.9 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 72.2 111.023 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.49 -30.91 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 54.1 111.074 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -29.4 60.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.046 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -32.37 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 75.2 111.014 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.21 -34.88 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 74.0 111.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.01 -37.61 83.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.24 -0.436 . . . . 64.3 110.866 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -72.85 -29.92 63.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.957 0.408 . . . . 73.4 111.414 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.58 -48.83 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 65.4 111.104 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -63.58 -45.86 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 75.1 111.036 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -28.91 69.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.97 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.26 -50.39 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 64.4 111.386 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.14 -36.23 74.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.301 -0.409 . . . . 74.4 111.601 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -67.31 -48.96 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 74.3 110.799 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.552 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.832 0.349 . . . . 73.1 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.32 -38.92 78.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.954 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -69.53 -40.31 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.873 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -30.42 70.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 72.2 110.962 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.17 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.213 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.32 -30.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.2 111.163 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -30.11 67.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 64.1 110.98 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.0 -30.75 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 70.3 111.025 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.17 -30.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -71.67 -37.72 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 60.1 111.0 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -73.04 -29.93 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 64.1 110.965 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.67 -47.48 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.217 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -58.8 -46.57 87.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.999 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.47 -37.35 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.927 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.57 -47.76 80.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -28.27 42.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.165 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -72.95 -29.57 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 73.5 110.984 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.84 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.3 111.285 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 56.41 58.06 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.025 0.441 . . . . 74.3 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.31 46.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 71.1 110.85 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -52.54 -30.7 31.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.067 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.26 -51.91 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 75.5 110.866 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.26 -40.73 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.901 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.91 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.3 111.123 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.82 -43.39 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -31.53 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.02 -38.23 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 63.4 110.952 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -45.42 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.4 111.003 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.78 -29.77 67.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 54.0 110.998 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.07 -47.27 59.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 74.2 110.974 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.21 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.252 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 t -69.58 -36.73 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 74.0 111.192 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.04 -31.35 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.2 111.042 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -73.08 -35.05 66.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.3 111.045 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.94 -47.93 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.4 111.073 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.93 -43.85 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 73.3 110.988 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.29 -30.42 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.039 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.2 91.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.244 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mt -73.01 -46.17 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.911 -0.586 . . . . 74.3 111.484 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -60.02 -39.1 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.2 111.079 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -91.02 -63.95 1.2 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.55 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -97.31 91.85 5.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.972 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.37 173.03 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 75.2 111.074 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.79 -169.26 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.0 110.856 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -63.1 170.12 3.01 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.107 0.479 . . . . 73.2 110.451 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -39.75 82.32 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.56 -0.745 . . . . 74.3 111.023 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -58.96 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.2 111.123 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.22 -29.94 61.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.995 -0.548 . . . . 71.1 111.071 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -74.14 -48.88 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.67 0.272 . . . . 72.0 111.063 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -37.08 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 73.3 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -59.01 -50.32 74.56 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.875 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 mt -71.02 -36.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.166 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.89 -52.1 61.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.382 -0.372 . . . . 75.4 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 71.3 111.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -70.21 -36.28 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 71.2 111.008 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -35.98 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.022 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 -39.64 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.291 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -31.89 61.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.973 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.91 -35.97 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 75.1 111.031 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.09 -29.3 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.059 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -30.9 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 73.1 111.014 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -42.61 36.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 72.4 110.982 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.07 71.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 61.2 111.273 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.29 -37.55 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 70.2 111.065 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.94 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.99 0.424 . . . . 72.2 111.174 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.43 -38.74 85.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.1 110.958 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.69 -46.08 63.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 54.2 111.014 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -28.82 66.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 63.5 111.136 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -76.48 -49.9 15.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.273 -0.421 . . . . 73.4 111.158 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.68 -32.42 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 52.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -36.4 65.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 75.5 110.87 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 63.5 110.976 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.831 0.348 . . . . 64.1 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.14 -45.63 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 62.3 110.932 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -30.93 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 75.2 111.028 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -67.75 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.999 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.7 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.5 111.216 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.85 -29.69 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -29.58 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.392 . . . . 43.3 111.005 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.6 -30.45 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 70.4 110.993 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 t -80.03 -29.91 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 63.5 111.181 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.8 m -70.08 -39.36 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 75.3 110.988 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -46.18 54.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 45.1 111.255 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 t -59.12 -43.52 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 73.3 111.046 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.98 -38.26 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.999 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.25 -42.73 88.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 62.2 111.012 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -53.95 -34.46 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 72.1 111.023 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -23.22 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 75.2 111.097 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.17 26.73 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 73.3 111.42 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.66 36.97 28.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 62.1 111.028 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -109.44 46.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.769 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -51.55 -34.97 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.03 -40.87 87.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.894 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.84 -32.17 65.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.955 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.81 80.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 73.3 111.176 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.63 -48.25 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.5 110.957 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -70.72 -33.93 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.04 -40.19 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 64.3 110.961 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -69.79 -46.56 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.954 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.3 -31.44 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.5 111.033 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.82 -37.28 76.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.032 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.21 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 70.3 111.242 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.02 -42.57 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.203 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.05 -47.96 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 71.3 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -61.16 -39.46 90.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.02 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.85 -53.02 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.965 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.62 -45.96 90.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 51.3 110.973 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -60.67 -30.54 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 73.1 110.988 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.03 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.208 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.9 mt -78.05 -47.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 74.5 111.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -53.05 62.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.365 -0.38 . . . . 75.5 110.977 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -73.62 -64.32 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.007 0.432 . . . . 53.4 111.211 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.64 82.41 3.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 72.1 110.938 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.94 123.57 30.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.121 -0.491 . . . . 75.5 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.3 -165.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.87 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.69 171.51 2.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.335 -0.393 . . . . 73.0 111.302 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -34.03 71.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.707 0.289 . . . . 73.1 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.5 86.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 75.3 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.28 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.212 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -67.66 -47.49 69.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 65.5 110.934 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.97 -38.55 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 62.2 110.841 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -60.27 -48.8 80.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.352 -0.386 . . . . 71.4 110.894 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.19 -39.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.1 111.154 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -60.23 -37.18 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 73.4 111.042 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.01 -28.05 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.4 111.163 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -68.51 -51.08 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.3 111.163 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.59 -40.37 83.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 75.4 111.188 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -36.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 54.2 111.139 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -36.3 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 63.4 111.076 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -70.98 -36.29 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.021 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.56 -39.5 93.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.987 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.5 -48.08 76.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 54.4 111.105 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -60.85 -46.63 89.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.5 111.083 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.85 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.261 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.56 -39.14 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.397 . . . . 73.5 111.179 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -33.35 74.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.224 0.535 . . . . 72.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.1 -39.47 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 73.0 111.06 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -66.97 -47.77 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.028 0.442 . . . . 74.2 110.966 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -29.04 70.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.266 -0.424 . . . . 70.1 111.374 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.94 -50.05 32.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.166 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.53 -38.74 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.143 0.497 . . . . 70.5 111.241 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.92 -53.14 60.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 73.2 110.847 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 74.3 111.047 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.738 0.304 . . . . 74.4 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -34.61 63.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -31.09 68.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 63.4 110.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.09 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 75.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 mt -73.05 -30.29 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 72.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.2 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.03 -30.68 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 75.2 111.036 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -74.14 -30.66 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 63.4 111.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -72.24 -40.35 67.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -27.83 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.5 111.048 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.91 -49.59 36.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 65.2 111.308 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.66 -46.96 86.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 74.4 111.146 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.24 -29.91 70.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 63.3 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.57 -39.48 58.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 75.5 111.03 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -48.03 70.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 63.1 111.011 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -16.3 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 74.3 111.362 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.12 24.52 4.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 53.1 111.495 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 56.41 38.17 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 71.4 111.091 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.74 46.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.2 110.801 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -52.87 -38.14 61.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.2 111.18 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -52.33 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.06 -39.99 94.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.98 69.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.177 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.02 -45.89 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.4 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -77.75 -30.8 51.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.964 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.82 -43.47 71.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.978 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -69.19 -46.76 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.968 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.62 -31.03 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 62.2 111.035 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.79 -45.78 60.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 74.5 111.075 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.61 70.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.18 -32.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 73.3 111.247 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.97 -33.82 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 54.4 111.038 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.96 -31.32 64.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 71.1 111.009 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.51 -46.7 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.031 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.57 -41.77 90.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.3 111.073 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.8 t60 -68.31 -34.26 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.87 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -73.51 -46.38 48.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -45.11 92.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 64.1 111.023 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 8.8 m-85 -81.92 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 73.3 111.386 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -98.3 93.58 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.974 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.82 107.63 18.76 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.888 0.375 . . . . 52.5 111.153 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -83.65 -174.66 5.41 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.857 -0.611 . . . . 71.0 110.745 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -63.19 173.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.636 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -42.2 79.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 72.4 111.079 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.77 -49.4 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 43.1 110.771 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.09 -34.58 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.672 -0.24 . . . . 63.4 111.03 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -71.56 -35.27 70.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.822 0.344 . . . . 70.4 110.905 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -74.08 -37.07 64.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 72.1 110.828 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 72.3 111.024 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 mt -71.32 -39.7 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.065 -0.516 . . . . 54.2 110.993 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -45.03 92.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 74.2 110.918 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.58 -29.82 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 72.1 111.008 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -69.37 -38.88 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.991 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.7 m -65.42 -32.94 74.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 65.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.44 -42.57 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.284 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.3 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 12.9 m-85 -71.11 -36.01 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.018 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -73.46 -29.82 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.4 111.151 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.15 -30.93 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 61.4 111.061 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -32.16 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.3 111.002 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.98 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.249 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -32.05 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 65.2 110.976 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -73.44 -30.17 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.155 -0.475 . . . . 71.3 111.002 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.17 -35.94 74.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.021 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -73.31 -47.17 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 72.0 110.99 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -28.93 66.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.958 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -76.3 -50.34 14.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 72.4 111.084 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.29 -36.96 74.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 74.3 111.153 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.68 -31.15 64.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.281 -0.418 . . . . 72.2 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.94 0.4 . . . . 63.5 110.898 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.332 . . . . 73.3 110.948 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.5 -44.37 67.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.914 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -37.36 87.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -65.49 -43.31 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.891 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.85 87.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 75.3 111.138 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.21 -29.52 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.205 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.62 -35.25 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.001 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.0 -30.44 68.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 73.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.26 -29.64 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 74.1 111.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -69.38 -42.78 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.116 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -44.3 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.3 111.411 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.5 111.12 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.84 -30.74 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 74.5 110.95 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -38.53 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.4 111.013 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -48.09 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.5 111.04 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.01 -15.63 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.345 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.39 26.72 3.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.744 0.307 . . . . 73.3 111.464 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 56.44 29.88 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 70.5 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -110.9 46.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -51.86 -43.77 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.4 111.164 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.11 -45.65 90.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -39.19 79.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.2 110.88 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.62 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.183 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.25 -39.96 93.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.42 -38.27 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.14 -32.58 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.2 -42.43 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.964 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.95 -30.41 70.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 72.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -69.46 -37.58 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.971 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.33 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.137 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.7 t -73.33 -33.12 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 75.3 111.145 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.95 -33.07 71.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.029 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.95 -36.66 67.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 75.2 110.98 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -66.61 -44.28 82.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 72.5 110.978 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.82 -46.07 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.2 111.08 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -66.76 -30.9 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.02 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.7 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 72.4 110.98 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -77.92 -39.1 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.983 0.421 . . . . 74.4 111.301 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -53.05 60.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 74.2 110.953 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 41.9 m-85 -82.69 -64.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.463 -0.335 . . . . 72.1 110.867 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -85.19 78.71 9.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.144 0.497 . . . . 73.3 110.796 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 128.74 34.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 75.1 111.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.82 -167.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.4 110.835 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -62.65 172.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.111 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.54 -0.3 . . . . 73.5 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.08 87.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 73.5 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.7 -43.62 58.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.032 0.444 . . . . 51.0 111.41 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 74.3 110.958 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.95 -38.42 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 61.3 111.083 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.82 -44.57 93.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 61.1 111.155 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.76 -42.99 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.164 0.507 . . . . 65.3 111.371 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -59.74 -36.08 75.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.838 -0.619 . . . . 71.1 110.961 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.14 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.975 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -35.0 62.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 72.2 111.035 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -51.02 71.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 74.1 111.089 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.278 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -42.05 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 71.4 111.069 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.19 -36.29 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.991 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.1 mt -67.29 -37.57 83.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 63.3 111.03 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.03 -44.91 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 73.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.88 -44.91 96.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.5 111.031 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 54.0 111.279 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.46 -32.0 69.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.2 111.021 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -72.78 -32.27 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 71.4 110.975 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 -46.09 76.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 61.0 111.031 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.69 -48.32 82.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 63.2 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -30.23 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.1 111.21 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -69.03 -50.08 51.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 74.1 111.026 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.32 -31.29 63.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.176 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -66.49 -44.31 82.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 75.1 111.058 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 74.1 110.673 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.777 0.323 . . . . 73.2 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.71 -43.87 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -63.86 -31.38 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -34.3 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.941 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 39' ' ' PHE . . . -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 63.4 111.173 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 mt -72.06 -30.62 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.143 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -31.49 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 4.0 mm? -74.08 -31.15 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.1 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.99 -30.23 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -74.17 -40.89 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 53.1 110.909 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.56 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.1 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -49.14 41.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.135 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -59.38 -47.8 84.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.994 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -62.83 -40.56 97.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 73.2 111.008 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.91 97.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -30.45 49.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.055 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -75.01 -25.74 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.985 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 28.36 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 73.2 111.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 58.53 56.22 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 63.5 110.9 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -123.95 46.03 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -54.02 -36.92 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.4 111.112 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -39.95 79.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.958 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -40.48 65.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 73.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.62 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.259 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.2 tp -61.46 -50.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.5 110.966 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -72.34 -31.07 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 70.3 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 2.7 mm? -70.98 -47.54 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.941 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -65.88 -41.52 91.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.3 111.004 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.47 -30.98 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.98 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -48.34 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 63.3 110.968 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -29.88 66.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.292 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.2 -34.06 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.183 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.05 -34.67 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 72.4 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.63 -34.2 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 71.2 111.023 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 9' ' ' ALA . 15.7 m-85 -69.39 -44.11 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 74.5 111.019 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.37 -43.17 99.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 73.3 111.012 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.93 -30.75 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.099 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.7 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.3 111.224 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -66.61 -48.12 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 50.2 111.469 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -58.69 -50.25 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.16 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 72.3 111.344 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -98.83 91.28 5.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.353 . . . . 74.3 110.99 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 148.4 22.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 62.2 111.019 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.96 -168.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 71.1 110.76 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -62.73 168.3 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 62.1 110.95 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.78 69.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 70.2 111.193 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -64.78 -49.69 69.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.995 -0.548 . . . . 74.5 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -30.89 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 71.3 111.194 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -72.13 -34.59 68.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.368 -0.378 . . . . 73.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.31 -41.77 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.2 111.001 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -44.62 95.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.848 0.356 . . . . 71.3 110.966 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.4 mt -71.12 -46.5 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 74.1 111.029 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpt85 -58.73 -47.29 85.11 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.07 -0.513 . . . . 75.5 111.031 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -30.0 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.048 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.17 -35.4 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 74.0 111.029 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.6 -35.62 81.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.5 111.056 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.21 -50.02 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.265 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -30.0 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.2 111.117 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.64 -35.97 75.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.38 -29.85 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 75.2 111.113 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -33.88 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 75.2 111.057 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -76.52 -32.04 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 75.2 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.66 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.4 111.2 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -46.92 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -60.98 -29.25 69.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 75.0 111.245 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.98 -49.97 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.3 111.143 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -66.21 -31.4 72.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.126 0.489 . . . . 74.2 111.03 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.73 -29.07 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.868 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.73 -47.63 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.383 -0.371 . . . . 70.2 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.01 -41.85 70.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.235 -0.438 . . . . 72.1 111.158 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 mtp-105 -60.2 -53.59 55.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 74.1 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.317 0 CA-C-N 116.223 -0.444 . . . . 75.3 110.976 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.748 0.308 . . . . 64.3 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.89 -44.64 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -67.46 -30.8 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 74.3 110.981 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -63.74 -34.89 78.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.4 111.222 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mt -67.28 -29.56 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 54.3 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.62 -35.05 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 70.5 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 t -70.71 -30.53 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.164 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 -39.13 54.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.3 111.041 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -72.92 -29.65 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -75.96 -46.05 31.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 111.239 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -58.46 -43.53 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 52.4 111.069 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.12 -30.85 70.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.5 -42.21 65.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.111 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.95 -38.85 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -74.93 -22.04 58.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.1 111.035 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.63 25.29 4.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.48 -0.327 . . . . 75.1 111.475 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 56.66 40.89 29.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 73.1 111.033 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -115.23 46.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -52.63 -30.86 33.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 74.1 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -47.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 74.1 110.898 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -37.86 72.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -32.05 68.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.1 111.142 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.38 -44.71 78.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.52 -32.68 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.2 110.985 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 2.0 m-85 -67.23 -40.78 86.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 62.3 110.967 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -59.34 -31.37 69.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 72.5 111.027 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.83 -41.98 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 72.3 111.046 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.71 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 72.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.18 -49.47 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.227 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.71 -30.75 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.4 111.005 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.1 m-85 -74.07 -42.92 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.987 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.45 -46.13 91.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 74.4 111.014 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.6 t60 -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.5 111.011 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -35.62 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 61.4 111.084 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -77.97 -44.77 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 72.1 111.225 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -52.91 63.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.859 -0.61 . . . . 73.4 111.113 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 11.3 m-85 -76.54 -64.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.83 79.91 5.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 73.2 110.933 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.0 122.57 28.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.245 -0.434 . . . . 75.4 110.957 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.23 -166.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 74.4 110.755 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.62 172.06 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 54.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -31.49 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.2 111.058 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -63.08 -45.21 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.977 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -44.05 56.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 63.2 111.094 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -59.24 -48.79 80.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.054 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.71 -40.17 91.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 72.2 111.0 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -60.02 -46.79 88.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 71.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.95 -46.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.398 -0.365 . . . . 74.2 111.195 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -59.66 -37.35 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.2 111.007 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.85 -30.75 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.0 111.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -40.02 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 61.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.97 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.66 -49.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.4 111.257 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.7 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 63.5 111.147 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -70.05 -36.13 74.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 74.1 110.95 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.91 -31.03 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 62.5 110.907 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.02 -31.09 61.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 73.3 110.972 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -46.73 39.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.5 111.011 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.75 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 72.2 111.255 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.51 -32.37 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.48 62.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.92 0.39 . . . . 64.5 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.2 -50.05 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 52.3 111.033 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -39.91 94.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 61.4 111.083 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -29.57 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.3 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -71.56 -50.21 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.86 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.74 -39.63 69.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.12 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -62.15 -52.13 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 74.2 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.405 . . . . 74.1 110.922 179.685 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 61.5 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.0 -45.56 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 63.3 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -62.42 -30.84 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.4 111.04 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.6 -41.81 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 74.2 110.967 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.41 -33.8 76.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.184 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mt -70.32 -29.51 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.3 111.205 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.4 -30.18 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 62.1 111.073 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -44.77 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 16.1 m -65.19 -28.98 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 53.3 111.281 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.1 m -73.83 -36.99 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 74.2 110.957 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.95 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.61 24.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 71.2 111.33 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.95 -48.59 80.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -29.94 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 71.3 110.937 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.28 -44.48 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 72.2 111.035 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.9 -33.37 56.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 62.5 111.023 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -75.0 -25.58 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.034 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.53 27.08 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 62.3 111.373 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.2 46.34 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 73.2 111.051 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -121.69 46.19 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 71.3 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -51.35 -42.83 61.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -42.59 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.85 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.59 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.836 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.02 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.065 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.53 -53.5 55.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -66.82 -34.77 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 72.2 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.91 -35.68 72.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.959 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -76.03 -39.92 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.967 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.45 -36.37 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.976 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.34 -45.56 83.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.1 111.076 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.6 -37.69 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 72.5 111.253 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 t -65.93 -31.21 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.148 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -70.06 -35.42 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -72.67 -39.67 66.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.039 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -62.85 -50.11 72.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.976 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -44.39 91.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 75.5 111.003 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -62.55 -30.62 71.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 74.4 111.057 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.1 111.231 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt -76.76 -51.47 19.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.904 -0.589 . . . . 75.2 111.122 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -53.3 59.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 75.1 110.971 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -69.95 -64.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 75.1 111.219 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.1 83.03 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 74.2 111.017 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.06 118.07 22.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 71.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -167.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.2 110.773 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -63.11 171.72 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 73.0 110.715 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.17 -36.18 74.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.947 -0.569 . . . . 53.4 111.003 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.96 88.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.853 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.95 -43.43 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.4 111.106 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -60.75 -43.04 98.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.14 -40.68 71.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.265 -0.425 . . . . 65.3 110.949 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -60.02 -44.49 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 71.1 110.906 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.16 -43.3 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 65.3 111.005 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.46 -42.03 91.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 63.5 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.94 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 64.3 111.147 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 21.6 mtpt -73.84 -34.96 64.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.0 111.066 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.87 -40.22 91.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 74.2 111.057 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.3 -37.05 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.265 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.38 -39.09 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 74.3 110.965 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 30.7 m-85 -71.07 -41.77 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 71.5 110.987 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -39.94 88.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 75.3 111.075 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -34.65 74.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 72.4 110.999 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.014 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.08 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.23 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -44.08 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.4 111.153 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -29.79 67.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 73.1 111.092 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.5 111.018 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -68.74 -43.52 75.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 63.1 111.092 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -29.17 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.909 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -68.65 -50.29 52.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 73.3 111.134 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.9 -29.99 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 71.3 111.081 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -54.85 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 63.3 110.809 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.4 111.129 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.352 . . . . 74.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.99 -41.0 74.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.2 110.932 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -44.17 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -62.02 -42.48 99.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 72.3 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.95 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.203 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -64.57 -29.78 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 70.3 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.27 -30.63 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.3 110.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.05 -45.73 39.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.965 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -30.27 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 42.4 111.209 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -69.7 -44.49 70.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.063 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -73.0 -27.24 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.089 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -74.55 -46.66 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 70.1 111.296 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -63.77 -47.26 81.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.979 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -33.02 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 71.4 110.984 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.44 -46.09 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.97 -32.02 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 74.2 111.079 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.03 -25.54 58.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 64.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.51 26.29 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 60.1 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttp 56.8 55.56 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 64.2 111.005 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -124.04 46.15 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.52 -30.68 21.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 73.3 111.239 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.89 -51.42 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.821 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.32 70.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.22 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -76.07 -33.91 59.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.3 111.002 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.07 -32.03 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.1 110.961 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.94 -49.5 17.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -59.45 -36.54 76.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.092 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.13 -36.94 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.053 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.54 -34.2 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 53.5 111.219 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.42 -30.38 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 71.3 111.193 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.04 -34.8 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.998 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -73.0 -34.12 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -69.64 -44.02 71.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.4 111.028 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.03 -46.1 85.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 74.1 110.977 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -62.02 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.46 82.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 37.5 111.141 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -73.06 -42.26 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.25 -0.432 . . . . 73.2 111.139 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -43.98 94.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.99 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -90.53 -64.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.99 0.424 . . . . 75.3 110.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.59 92.82 9.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.733 -0.667 . . . . 72.3 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.1 134.59 38.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.015 -0.538 . . . . 55.5 111.176 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.56 -168.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 74.1 110.841 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -62.91 170.19 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 71.5 111.005 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -38.35 76.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 73.3 111.06 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.86 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.002 -0.544 . . . . 74.4 110.924 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.16 63.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 70.4 111.015 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -67.31 -38.84 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 63.3 111.122 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.44 -39.6 77.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.964 -0.562 . . . . 75.5 110.979 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -59.58 -46.95 87.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 73.1 110.977 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.31 -34.74 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 71.3 111.092 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -65.24 -40.91 94.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 74.0 111.065 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.99 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 70.4 111.088 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -66.18 -50.96 62.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.14 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -60.14 -34.58 73.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.112 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 t -67.0 -36.06 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 75.4 111.234 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.05 -36.29 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.118 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -70.34 -36.02 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.3 111.089 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.81 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -30.59 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 64.1 111.098 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -79.24 -33.67 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 60.2 111.026 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.85 67.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.294 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.16 -51.48 37.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 75.1 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -37.09 74.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.299 0.571 . . . . 72.3 111.265 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.13 -45.25 93.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 73.5 111.048 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.17 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 55.5 110.932 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -29.03 69.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 73.0 111.081 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.59 -49.23 27.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.066 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.45 -29.22 63.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.521 -0.309 . . . . 63.4 111.24 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -73.3 -36.64 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 74.2 110.98 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 73.4 110.601 -179.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.331 . . . . 71.3 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.72 -33.34 66.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.53 -31.12 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.938 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -72.71 -38.27 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.04 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 71.3 111.067 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.91 -30.41 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.3 111.187 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -31.94 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 60.5 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.29 -32.61 64.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.953 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.67 -30.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.099 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -70.63 -41.79 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 71.4 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -73.03 -29.87 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.937 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -72.47 -48.96 36.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 73.2 111.244 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -58.97 -46.79 87.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 71.2 111.028 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.82 -37.44 87.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.5 110.975 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.04 -45.53 88.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 61.4 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -33.01 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 74.3 111.045 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.66 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.009 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 27.56 3.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 74.3 111.394 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.38 50.36 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 64.1 110.95 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -120.99 46.1 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 70.1 110.881 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -53.11 -32.15 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 73.4 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -50.48 48.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.74 -39.51 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 72.5 110.836 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.93 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.82 -43.41 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -35.85 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.71 -48.27 69.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.2 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 2.7 m-85 -64.61 -41.51 96.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.988 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -71.37 -39.69 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.045 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.08 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 65.5 111.284 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.85 -54.12 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 71.1 111.299 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.15 -35.89 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -66.12 -31.08 71.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.955 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -74.05 -43.44 57.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.951 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.76 -43.61 94.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.049 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -65.03 -30.26 71.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 73.4 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.29 -34.54 74.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.219 -0.446 . . . . 62.4 111.018 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.88 -47.53 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 62.2 111.22 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -52.4 65.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.2 110.959 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.39 -64.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 73.5 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -95.15 83.88 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 71.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.09 116.19 24.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.919 -0.582 . . . . 73.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -167.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 73.2 110.824 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.28 172.59 1.85 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.085 -0.507 . . . . 54.5 110.945 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.45 -35.03 73.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 74.5 110.786 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -60.66 -49.99 75.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 64.4 110.981 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.41 63.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 71.5 110.943 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -67.0 -37.1 83.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.379 . . . . 71.3 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -74.08 -36.97 64.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.073 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -64.53 -44.87 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 73.3 111.055 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.04 -41.65 79.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 121.159 0.504 . . . . 63.5 111.376 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -59.7 -47.49 85.42 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.858 -0.61 . . . . 74.3 111.105 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.42 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 64.4 111.074 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -67.71 -35.8 79.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 65.5 110.906 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.54 -35.36 78.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 72.4 111.067 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.7 -38.05 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 74.1 111.168 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -41.24 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.048 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 22.9 m-85 -66.61 -35.98 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 71.2 110.998 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.97 -30.19 68.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 72.2 111.039 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -30.12 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 72.2 111.126 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -31.94 53.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 64.2 111.035 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.24 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.213 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -41.34 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 75.3 110.921 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.74 78.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 75.1 111.073 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.58 -41.94 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.0 -46.5 77.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.963 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -28.95 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.1 111.026 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -76.76 -49.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 74.5 111.194 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.64 -30.95 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 75.5 111.34 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -79.16 -46.94 16.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.923 0.392 . . . . 73.2 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 72.1 110.836 -179.708 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 71.1 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.92 -43.99 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 75.3 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -66.41 -33.17 75.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -32.22 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.82 -34.79 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.4 111.187 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -72.95 -29.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.1 111.115 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -30.31 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.3 111.102 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.81 -33.94 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 72.3 111.072 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 16.3 m -79.98 -30.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 74.2 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.8 m -72.52 -35.74 68.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.02 62.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.048 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -47.63 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.2 111.258 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -58.43 -43.4 88.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 70.5 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.05 -30.58 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 61.3 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -37.55 62.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.94 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.95 -47.99 70.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 61.3 110.991 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.28 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.245 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.71 23.61 5.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.561 -0.291 . . . . 73.2 111.435 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.38 45.71 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 53.1 111.057 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -124.06 46.11 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 71.3 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.34 -41.62 60.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.66 -37.45 87.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 64.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.12 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.4 111.236 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.72 -51.21 69.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 61.2 110.977 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -32.26 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.04 -43.13 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 71.3 111.008 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -46.18 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 75.1 111.036 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.22 -33.44 70.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.089 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.66 -37.51 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 64.3 111.07 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 73.2 111.303 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.88 -30.48 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.4 111.217 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.04 -39.22 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 74.1 111.025 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.61 -32.53 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 55.3 111.005 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.06 -44.36 69.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 72.2 110.975 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -35.47 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 74.5 110.972 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -73.47 -30.75 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.3 110.926 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.39 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 73.4 111.119 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.1 -47.96 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 61.3 111.069 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -59.68 -52.71 64.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 73.2 111.045 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -74.54 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 74.2 111.276 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -94.15 83.17 4.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 71.1 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.65 113.66 24.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.091 -0.504 . . . . 71.4 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.98 -169.31 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.884 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -63.32 170.43 3.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.128 -0.487 . . . . 74.1 110.77 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.3 -37.96 76.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.373 -0.376 . . . . 73.3 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -50.01 75.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 63.5 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.97 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.057 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.36 96.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 65.5 111.09 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -36.97 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 75.4 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.83 97.6 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.261 -0.427 . . . . 70.4 111.06 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.05 -44.76 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 71.3 111.146 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.454 -0.339 . . . . 72.2 111.096 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.5 70.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 61.2 111.212 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -69.19 -38.98 78.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.073 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.89 -33.81 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 43.2 111.03 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.65 -38.4 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 72.2 111.248 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -36.48 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 75.3 111.075 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 31.8 m-85 -70.95 -36.1 72.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 75.5 111.077 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.24 -36.02 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.4 111.098 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -29.21 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 71.4 111.152 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmm-85 -77.69 -39.73 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 75.2 111.013 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.01 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 73.3 111.298 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.83 -32.57 71.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.247 -0.433 . . . . 74.3 111.043 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.77 61.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 71.1 111.012 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.22 -46.57 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.038 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -31.77 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 44.1 111.079 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -29.78 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.4 110.583 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -73.23 -48.42 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.481 -0.327 . . . . 73.4 111.042 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.64 -41.0 76.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.378 -0.373 . . . . 71.2 111.067 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.41 -42.26 86.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 72.2 111.072 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 70.4 111.079 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.869 0.366 . . . . 75.2 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.98 -36.07 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 73.5 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -72.05 -30.88 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -71.13 -43.58 67.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 65.5 110.913 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.79 82.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 51.5 111.287 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mt -69.84 -29.86 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.166 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -30.1 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 71.4 110.983 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.79 -31.73 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.934 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 t -78.69 -30.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 75.5 111.085 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 m -71.63 -37.28 70.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 62.3 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.16 64.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.001 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.31 -46.69 48.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.213 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -59.67 -45.67 91.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.38 -32.29 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 71.5 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -39.81 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.988 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -38.48 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 71.4 111.032 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.46 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 73.4 111.042 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.19 25.86 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 52.1 111.355 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 56.89 48.4 16.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 75.5 111.065 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.34 46.08 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -53.85 -34.13 58.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.058 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.2 -45.09 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 55.3 110.828 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -39.68 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.826 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.07 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.3 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 70.4 110.869 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.34 64.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.77 -45.14 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.3 110.898 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 2.1 m-85 -67.84 -41.85 82.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.965 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -62.58 -32.74 73.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.0 -41.64 67.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 72.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.97 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.0 111.244 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.76 -33.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.1 -34.06 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -72.91 -30.89 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 65.3 110.983 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.34 -43.88 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 53.2 110.992 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.66 -45.8 85.19 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.2 -0.454 . . . . 71.5 110.977 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.88 81.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 52.1 111.035 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.31 -44.31 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.1 111.12 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -52.61 64.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 74.1 111.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.16 -63.85 1.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.9 -0.591 . . . . 73.5 111.234 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.22 86.09 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.889 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.76 118.69 30.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 52.4 111.148 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.01 -168.04 1.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.485 -0.325 . . . . 75.3 110.85 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 175.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 71.3 110.867 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -34.6 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.884 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -52.3 65.84 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.07 -0.514 . . . . 73.5 110.808 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.19 63.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 72.2 111.21 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -70.1 -46.22 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.012 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -37.09 78.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.989 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -62.09 -47.73 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mt -71.1 -37.6 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 63.1 111.092 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 tpt85 -61.49 -40.52 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 72.2 111.117 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 71.2 111.354 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -50.92 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 65.3 111.105 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.1 p -58.92 -38.21 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 73.0 111.116 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.0 t -62.44 -36.08 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 75.2 111.173 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -73.56 -36.2 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 70.3 111.057 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.0 -35.97 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 72.3 111.048 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.48 -41.45 93.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 51.4 111.058 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 55.2 111.079 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.3 111.01 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -29.92 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 72.2 111.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -32.58 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.908 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -30.23 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 52.4 110.862 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.3 mt -73.07 -36.92 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 74.4 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.77 -41.84 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.083 0.468 . . . . 63.2 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -30.56 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 75.2 110.877 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.49 -50.23 27.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 72.1 110.951 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.23 -31.18 68.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.148 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -69.7 -38.92 77.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 73.2 110.795 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 63.4 110.748 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 61.4 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.48 -45.22 55.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -30.58 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.967 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -71.07 -36.78 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.22 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 111.193 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.49 -29.68 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -30.08 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.2 111.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.0 -31.38 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 74.5 111.094 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.84 -29.66 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 m -77.5 -35.94 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 72.1 111.055 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -76.16 -45.28 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -59.22 -46.13 89.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 71.5 110.966 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.09 -38.66 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.3 111.028 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.67 -40.55 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.038 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -36.78 63.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 71.2 111.031 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -22.2 58.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 42.4 111.176 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.01 26.29 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.443 -0.344 . . . . 71.4 111.425 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 56.49 49.43 14.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 75.1 111.094 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -123.97 46.19 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.3 110.804 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -53.19 -30.31 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.1 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -47.04 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 71.4 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -41.15 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.31 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 61.4 111.161 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.84 -43.17 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.953 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.73 -34.71 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.862 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -44.17 80.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 1.2 m-85 -67.13 -42.59 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.919 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.63 -33.01 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 74.3 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -71.79 -42.03 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.4 111.017 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -35.64 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.3 111.248 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -71.15 -32.27 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 72.4 111.18 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.09 -36.09 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -73.02 -33.22 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.4 111.038 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.6 -51.28 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.997 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -46.0 89.73 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.27 -0.423 . . . . 64.5 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.1 t60 -62.93 -30.9 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.955 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.23 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 64.3 110.976 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.5 mt -77.87 -43.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 73.5 111.228 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.9 63.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 72.1 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 6.5 m-85 -77.68 -64.22 1.2 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 73.4 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.54 85.36 6.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.946 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.83 124.48 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 60.3 111.13 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.16 -166.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.833 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 170.65 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.693 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.19 -31.06 69.79 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.851 -0.613 . . . . 71.5 111.179 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -50.38 66.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 70.1 110.912 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.57 -35.08 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 74.5 111.239 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -63.58 -48.91 75.48 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.074 -0.512 . . . . 74.3 110.978 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.1 110.854 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -47.69 84.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 65.4 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.8 mt -70.6 -44.36 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.4 111.063 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.85 -42.71 94.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.873 0.368 . . . . 73.3 111.017 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.73 70.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.281 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.93 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 71.4 110.95 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -66.77 -32.94 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 63.1 110.932 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.38 -46.6 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 61.4 111.207 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.61 -42.48 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 71.5 110.935 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -59.49 -35.94 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 72.4 111.012 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.95 -37.03 78.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 72.2 111.023 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.4 111.0 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.18 -47.97 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.2 111.015 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.46 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.2 111.2 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.54 -39.64 85.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.1 111.208 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -39.4 73.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.291 0.567 . . . . 73.2 111.145 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.35 -40.25 95.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 71.4 111.006 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -48.01 64.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 72.2 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -29.35 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.157 -0.474 . . . . 41.5 110.758 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -67.92 -50.34 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.014 0.435 . . . . 73.2 111.013 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.88 -32.12 63.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.248 0.547 . . . . 64.3 111.22 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -32.21 69.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.947 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.3 110.669 -179.638 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.808 0.337 . . . . 72.1 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.32 -43.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.46 -31.11 70.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.91 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -34.5 71.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 62.4 110.873 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.22 72.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.135 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.84 -30.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 73.3 111.119 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.06 -30.63 63.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.55 -32.15 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.4 110.945 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.8 -30.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 72.1 111.203 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -70.82 -41.95 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 70.3 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -73.1 -28.54 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.0 111.012 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -71.97 -49.06 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 72.2 111.187 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -58.74 -46.71 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 70.4 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.27 -35.12 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 62.4 110.982 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -44.93 86.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 74.2 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.01 -30.08 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -27.31 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.914 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 26.43 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 62.1 111.373 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 tttt 57.1 46.16 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 71.3 111.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.97 45.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.936 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -54.08 -30.37 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.133 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.9 -50.28 50.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.17 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.3 110.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.67 81.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.3 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.24 -46.51 89.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.2 111.017 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.89 -33.5 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -76.05 -45.63 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 74.3 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.17 -33.73 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.77 -50.17 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.986 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.81 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 64.4 111.226 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.82 -36.29 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 55.5 111.092 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.03 -38.69 75.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.83 -35.83 81.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.955 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -68.97 -51.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 73.1 110.985 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.5 -38.97 82.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.045 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.56 -30.69 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 51.4 110.964 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.29 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.5 111.036 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.4 mt -71.54 -45.28 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 73.1 111.205 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -50.86 72.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -79.6 -64.16 1.25 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.139 0.495 . . . . 71.5 111.408 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.71 85.97 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 72.5 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.21 108.94 19.9 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.318 -0.401 . . . . 72.3 111.054 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -169.09 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.977 0.418 . . . . 74.3 110.777 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 171.12 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 53.1 110.915 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.11 -35.92 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.879 0.371 . . . . 73.4 110.775 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -63.05 -49.86 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 72.4 111.04 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.43 64.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 64.4 111.114 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -69.57 -32.75 71.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 74.4 111.03 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.78 -42.35 61.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.893 -0.594 . . . . 74.3 111.023 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -60.01 -40.77 90.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 74.0 110.952 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.17 -40.34 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 74.4 111.043 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -65.07 -38.08 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.451 -0.341 . . . . 71.2 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.22 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 63.5 111.339 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -35.71 61.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 71.4 110.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.43 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 71.4 110.978 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -44.4 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.1 111.311 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -74.2 -30.79 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.0 111.071 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.65 -39.15 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.041 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.46 -30.29 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.074 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 73.4 111.036 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -80.14 -32.08 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.011 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.37 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.5 111.23 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.0 -44.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.285 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.98 -29.39 67.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 75.4 111.037 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.66 -47.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.084 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 8.5 ptpt -72.66 -34.21 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.1 111.044 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -28.89 70.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.508 . . . . 74.5 111.41 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.05 -49.79 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 74.1 111.523 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 71' ' ' LYS . 4.0 pp -63.72 -43.17 97.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 64.2 111.672 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -61.67 -31.77 71.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.809 0.338 . . . . 72.1 111.048 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.987 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.79 0.329 . . . . 63.3 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.94 -33.8 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.872 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -71.96 -34.89 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.982 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.68 -40.6 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.932 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.67 86.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.143 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.36 -30.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.2 111.117 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -30.26 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.966 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.47 -31.09 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 72.2 110.965 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 -30.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.3 111.132 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.3 m -75.63 -34.77 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.99 -30.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.951 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -75.13 -45.31 41.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.2 111.283 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 t -58.11 -43.86 87.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 63.4 111.058 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.02 -32.26 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.93 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.18 -38.31 56.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -47.17 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.3 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -75.15 -17.45 60.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.158 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.79 24.13 4.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.514 -0.312 . . . . 52.2 111.452 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 56.73 44.95 22.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 75.1 111.17 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -123.93 46.11 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 62.5 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -51.89 -38.64 56.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 62.4 111.164 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.45 -46.28 90.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.3 110.81 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -38.93 75.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.15 -32.82 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 70.3 111.086 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.9 -48.54 76.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -34.18 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.037 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.04 -41.06 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.3 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.8 m-85 -68.49 -47.46 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.875 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.19 -39.16 81.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.3 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.14 -32.59 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.1 110.935 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -38.46 72.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.245 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.99 -32.38 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.242 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.69 -34.81 74.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.953 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -73.01 -30.8 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.1 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.92 -36.3 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.4 110.936 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -39.31 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 63.1 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -71.58 -31.44 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.5 110.957 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 74.5 111.011 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.3 mt -75.46 -44.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 60.1 111.349 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.38 69.68 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.936 -0.574 . . . . 61.5 110.948 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.32 -64.01 1.27 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.138 -0.483 . . . . 75.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.62 88.02 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 75.1 110.919 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.38 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.211 -0.449 . . . . 75.3 111.129 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.37 -169.46 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -62.86 172.43 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 74.2 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -37.92 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.533 . . . . 73.3 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.75 -49.81 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.978 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.47 64.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.517 -0.31 . . . . 54.5 111.019 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -66.1 -47.23 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 74.2 111.102 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.2 -36.99 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 73.1 110.947 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -58.33 -47.28 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.9 mt -71.06 -38.84 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 72.1 111.024 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -62.66 -41.43 99.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 75.1 110.926 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.05 70.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.969 -0.56 . . . . 62.2 111.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -69.07 -34.87 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 74.2 111.0 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -34.98 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.001 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.52 -41.97 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 71.3 111.212 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -74.93 -37.97 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 75.4 111.104 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.02 -35.99 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.022 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.73 -29.96 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 73.4 111.084 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -30.02 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 74.4 111.065 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -73.76 -45.9 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 74.3 111.078 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.65 -29.58 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 42.2 111.296 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.82 -43.28 62.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.999 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -30.14 70.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.121 0.486 . . . . 73.3 111.153 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.78 -39.57 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 71.3 111.049 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -42.27 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.4 111.085 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -28.92 67.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.998 -0.546 . . . . 72.3 111.248 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.05 -49.93 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.352 -0.386 . . . . 64.4 111.53 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.8 -38.75 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.946 0.35 . . . . 73.4 111.946 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -68.55 -30.4 69.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 72.4 110.994 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 71.3 110.778 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 73.5 110.955 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.91 -37.91 64.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.97 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -68.2 -32.96 73.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.86 -32.55 67.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 75.4 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.83 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 50.5 111.122 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.15 -30.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.5 111.209 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.72 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 62.3 111.032 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.14 -33.66 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 75.3 110.93 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 63' ' ' TYR . 18.0 m -76.39 -30.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 71.2 111.187 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 m -71.86 -37.49 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.1 111.008 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -30.23 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 75.2 111.034 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.77 -47.35 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 111.233 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.8 -35.54 81.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 70.3 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.9 -38.3 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.916 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.96 -39.26 65.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 75.4 111.006 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -75.08 -21.21 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 73.3 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.1 23.96 5.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.502 -0.317 . . . . 73.4 111.535 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.7 40.78 29.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 73.2 111.147 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.29 46.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -51.77 -39.16 58.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 72.4 111.192 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.53 -43.47 89.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -39.61 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -34.73 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.167 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.5 -43.68 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.3 110.987 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -35.52 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.003 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.97 -34.43 71.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.4 111.02 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.9 m-85 -73.01 -46.7 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.94 -36.47 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.28 -40.16 89.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.4 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -30.2 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 74.1 111.244 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.17 -32.83 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 61.3 111.288 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.02 -37.88 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.008 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -72.89 -32.54 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 63.3 111.059 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.48 -42.25 65.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 63.3 111.005 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.79 -46.0 83.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.4 111.069 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.87 -36.21 82.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 72.1 110.947 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.79 98.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 71.3 111.021 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -67.85 -51.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 64.4 111.21 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 72.3 111.079 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -74.02 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.202 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.09 88.54 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 74.2 110.989 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.13 96.91 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 53.1 111.171 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.41 -168.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 74.2 110.698 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -63.08 175.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.706 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.86 -31.27 72.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.888 -0.596 . . . . 73.4 111.048 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -47.99 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.1 110.956 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.96 53.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 73.4 111.309 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -59.71 -33.03 71.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -74.09 -38.18 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 72.1 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -65.61 -40.1 92.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 74.4 110.936 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.3 mt -71.18 -35.78 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.081 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -68.92 -42.96 76.1 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.161 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.15 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.4 111.38 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -70.43 -34.96 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 74.1 110.994 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.56 -37.36 85.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.959 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.63 -38.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.4 111.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.88 -35.75 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.4 111.039 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' CE1' HG12 ' A' ' 13' ' ' VAL . 25.4 m-85 -70.85 -36.42 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 72.4 111.007 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mt -70.77 -29.68 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.2 111.071 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.61 -32.74 66.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 73.3 110.957 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -32.02 60.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 70.1 110.983 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.92 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 70.3 111.183 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -70.88 -45.56 64.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 74.2 111.018 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -62.78 -30.42 71.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.409 . . . . 65.1 111.058 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.3 mt -66.26 -49.99 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 72.5 110.914 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -30.52 69.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.1 111.369 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.4 -50.52 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 72.3 110.983 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.6 -32.73 71.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.072 -0.513 . . . . 73.0 111.399 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -68.12 -47.73 67.34 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.009 0.433 . . . . 73.4 110.868 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 72.1 110.804 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 60.3 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.94 -41.49 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -31.14 71.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.2 111.01 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -70.98 -37.1 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.984 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.41 76.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 61.3 111.183 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.27 -30.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 70.1 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -31.11 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.3 110.977 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.93 -37.77 69.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.04 -29.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 72.4 111.187 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.75 -41.4 71.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 65.4 110.957 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -29.95 63.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.93 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.04 -48.59 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 43.4 111.21 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 t -59.36 -46.37 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.015 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.97 -34.03 77.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 64.5 110.898 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -45.55 77.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.9 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.52 -30.07 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 73.1 111.072 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -27.44 60.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 64.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.08 27.29 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 65.1 111.32 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 57.18 56.11 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 73.5 111.006 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -123.97 46.14 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 65.4 110.879 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.44 -30.0 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.5 111.096 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.35 -52.22 29.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -35.36 78.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.82 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.2 111.225 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.03 -41.9 98.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.911 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -77.97 -33.33 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.964 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.61 -37.87 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.4 111.007 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.6 m-85 -73.01 -41.11 64.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.1 111.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.82 -30.31 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.999 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.2 -39.5 75.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.3 111.267 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.97 -37.54 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.84 -37.36 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.029 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -67.09 -33.99 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.041 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -72.13 -38.59 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.015 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.08 -39.27 82.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -71.71 -30.89 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.98 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 62.2 111.01 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -66.99 -46.2 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 63.2 111.103 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -53.1 61.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.956 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -75.29 -63.9 1.18 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.107 -0.497 . . . . 73.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.22 95.13 8.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 71.1 111.056 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.43 151.26 19.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.818 0.342 . . . . 61.3 111.215 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.87 -168.07 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 70.5 110.661 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 167.51 4.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.412 -0.358 . . . . 74.3 111.303 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.89 -38.36 72.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.97 0.414 . . . . 62.1 110.999 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -48.97 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.994 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 75.0 111.269 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -48.85 51.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.046 -0.525 . . . . 61.2 111.068 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -37.12 85.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 73.4 110.851 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -60.21 -43.77 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 74.2 111.009 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.26 -40.7 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 73.2 111.004 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -59.85 -48.16 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 72.2 111.035 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.79 71.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.275 -0.42 . . . . 73.4 111.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -70.21 -35.83 74.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 52.1 110.988 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.38 -36.72 85.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.044 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -64.95 -43.61 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.198 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -74.45 -31.15 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.3 111.093 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.95 -35.99 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 75.4 111.048 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.74 -30.52 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 74.5 111.097 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.03 -30.01 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.089 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -32.04 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.003 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 61.3 111.243 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.39 -39.99 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 73.3 110.948 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.84 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.3 111.141 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt -69.56 -49.36 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.1 111.002 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -31.94 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.2 111.064 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -29.01 60.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.4 111.294 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -75.21 -49.89 17.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 64.5 111.208 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.59 -44.98 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 64.4 111.291 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -61.7 -40.34 94.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 64.5 111.078 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 64.2 110.834 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.792 0.329 . . . . 72.4 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.97 -31.99 63.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.3 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -35.22 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -70.79 -34.1 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.926 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.23 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.92 -35.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 55.1 111.079 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.71 -31.48 52.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.917 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG12 ' CE2' ' A' ' 63' ' ' TYR . 27.6 m -80.08 -32.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.1 111.118 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -68.69 -37.75 79.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.47 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.908 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.55 -46.95 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 75.2 111.144 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -44.16 92.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.959 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.6 -39.54 84.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.5 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.52 -39.19 88.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 71.1 110.849 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -55.07 -41.78 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 70.2 111.037 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.06 -18.01 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.1 111.266 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.334 . . . . 65.1 111.373 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 57.52 30.11 18.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 64.1 111.05 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.92 46.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.791 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -53.07 -30.78 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.5 111.082 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.34 -46.68 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.1 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.72 -40.6 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.3 110.924 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.93 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.1 111.074 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.6 -49.09 74.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.948 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.42 -36.91 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 75.4 110.985 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.9 -43.48 45.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -61.35 -40.44 94.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.945 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.55 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.2 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.32 -34.48 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.4 111.051 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.35 -35.91 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 63.2 111.004 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -72.5 -30.85 64.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.971 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.15 -49.43 56.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.3 110.923 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.99 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 63.4 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -66.29 -30.17 70.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.86 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 60.3 111.053 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -69.36 -34.02 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.341 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -48.22 23.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.016 -0.538 . . . . 63.3 110.969 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -85.67 -64.07 1.22 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 70.1 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.89 57.92 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.108 0.48 . . . . 70.1 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 144.7 56.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.093 -0.503 . . . . 73.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.92 -165.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.462 -0.335 . . . . 74.5 110.755 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 173.43 1.36 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.373 -0.376 . . . . 74.5 110.768 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -31.24 69.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 50.4 111.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.77 -46.14 89.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 74.3 111.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.54 61.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 73.5 111.043 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -59.21 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 75.4 110.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.8 -36.75 80.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.017 -0.538 . . . . 71.1 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -64.32 -48.24 76.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.2 111.193 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mt -67.55 -42.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 74.2 111.201 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -59.93 -36.14 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.943 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.48 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 55.2 111.126 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -75.0 -44.91 45.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.1 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.79 -41.08 96.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 61.5 111.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 p -66.82 -36.07 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 73.3 111.237 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -41.43 76.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.855 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 13' ' ' VAL . 27.7 m-85 -70.99 -36.63 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 64.1 111.002 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.96 -43.31 95.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 64.1 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.74 -38.41 83.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 64.1 110.97 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -36.5 79.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.938 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.85 82.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.17 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.12 -32.17 70.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -67.06 -39.05 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.462 . . . . 74.4 110.945 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.57 -39.56 80.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.951 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.58 -33.13 70.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.188 -0.46 . . . . 61.3 111.271 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.1 -50.31 66.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.943 -0.572 . . . . 74.1 110.96 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 pp -71.75 -32.72 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.56 . . . . 73.4 111.027 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.19 -43.94 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.911 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 71.4 110.857 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.806 0.336 . . . . 72.3 111.172 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 p -108.71 132.09 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.2 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 m -84.83 129.4 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 m -113.99 -178.89 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 53.3 110.923 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.3 m -73.49 -39.44 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.915 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -34.48 64.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.901 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -37.29 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -67.8 -30.67 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 63.1 111.022 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.2 73.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.193 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -73.05 -34.22 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 55.1 111.147 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -30.75 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 72.2 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.8 -36.56 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 72.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.44 -30.75 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 73.1 111.191 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -71.56 -35.76 70.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 73.4 110.948 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -30.19 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.002 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -74.84 -45.69 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 75.2 111.208 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -58.87 -45.04 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 75.5 111.014 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.72 -36.38 80.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 73.5 110.844 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.958 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -38.46 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 70.2 110.976 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.03 -19.92 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.7 27.49 3.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.513 -0.312 . . . . 65.1 111.4 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tttt 57.38 31.12 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 64.1 111.064 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -109.04 46.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.811 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.93 -34.69 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.5 111.101 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.46 -48.08 76.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 72.1 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -40.32 91.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.02 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.169 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.61 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.3 110.952 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -78.67 -32.6 47.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.034 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.0 -49.79 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.958 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 2.4 m-85 -64.91 -39.66 93.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.964 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.96 -40.29 91.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.026 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.07 -42.47 94.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 72.3 111.011 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.12 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.2 111.207 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.54 -31.12 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -38.33 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 63.2 111.058 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.05 -32.27 64.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.023 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.32 -53.93 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 72.3 111.047 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.69 -46.07 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.87 -34.31 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.063 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.79 72.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 60.3 111.147 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -77.91 -44.67 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 74.4 111.332 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -52.61 64.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.119 -0.492 . . . . 63.3 111.034 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.08 -64.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.852 0.358 . . . . 70.1 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -87.44 82.51 7.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.035 -0.529 . . . . 70.1 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.19 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.48 -0.327 . . . . 73.0 110.978 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.1 -165.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 74.5 110.842 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.71 174.29 1.07 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.318 -0.401 . . . . 74.5 111.169 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.371 -0.377 . . . . 50.4 111.035 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.02 -45.27 93.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 74.3 111.115 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.06 61.15 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.087 -0.506 . . . . 73.5 111.277 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -47.44 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 75.4 110.957 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.59 -37.08 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 71.1 110.988 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -63.18 -47.48 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.532 . . . . 72.2 111.063 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.3 -42.02 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 74.2 110.949 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.726 0.298 . . . . 72.3 111.134 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.54 -28.15 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 55.2 111.021 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.98 -46.3 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.1 111.173 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.51 -41.75 96.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 61.5 111.274 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 73.3 111.242 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -39.44 73.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.1 110.993 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -71.01 -36.11 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 64.1 111.046 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -36.12 80.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.1 111.04 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 64.1 111.027 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.056 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.26 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.6 -32.04 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 75.3 110.911 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.44 -33.5 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 74.4 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.87 -36.77 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.037 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -66.82 -46.88 73.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.066 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -29.21 70.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 61.3 110.963 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -72.2 -49.56 34.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.213 -0.449 . . . . 74.1 111.111 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.46 -34.33 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.035 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -65.39 -46.33 80.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.058 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -62.68 -45.54 92.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.022 -0.535 . . . . 71.4 111.046 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.135 -0.936 . . . . 62.5 111.017 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.831 0.348 . . . . 74.1 111.162 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -139.67 167.5 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.875 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -83.46 103.54 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.929 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -179.65 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.798 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -67.34 -30.96 70.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 73.4 111.089 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -49.32 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 65.1 110.948 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.34 -33.19 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 61.3 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -69.29 -39.17 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.944 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.87 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 54.3 111.251 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.81 -31.41 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -30.44 39.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 75.2 110.971 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.27 -45.28 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 72.3 110.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.14 -28.83 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 72.5 111.326 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -75.22 -33.89 61.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 64.1 111.004 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.8 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.1 110.975 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.95 29.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 63.0 111.24 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -57.91 -46.74 84.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 75.2 111.034 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.28 -42.67 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.1 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.24 -42.22 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.837 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.89 -33.19 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.974 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.27 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 53.1 111.025 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 25.96 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 71.1 111.474 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 38.69 29.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.376 -0.375 . . . . 64.5 111.095 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -107.97 46.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 50.5 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -52.17 -30.34 26.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.096 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 75.1 110.923 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.05 -38.86 66.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.915 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.49 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.206 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -49.83 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -67.79 -36.0 79.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.953 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 71.4 111.048 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -54.11 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 74.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.61 -30.82 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 73.0 111.027 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 72.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.22 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 61.1 111.226 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.45 -31.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 75.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.33 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.088 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -73.0 -40.43 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.063 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -63.19 -44.15 96.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 72.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.62 -42.93 98.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 71.1 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.93 -30.72 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.941 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.17 81.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 71.5 111.066 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.7 mt -72.87 -44.22 58.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.056 -0.52 . . . . 61.4 111.063 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -52.8 63.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.88 0.372 . . . . 53.2 111.083 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -76.36 -64.23 1.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.894 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.35 89.84 6.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.579 . . . . 72.5 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.77 124.53 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 73.1 111.273 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -106.41 -169.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.5 110.95 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -63.34 171.73 2.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 55.4 110.764 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.89 -36.22 76.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.317 -0.401 . . . . 73.4 110.817 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.33 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 73.3 111.06 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -34.35 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 73.4 111.242 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -69.44 -33.6 73.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 74.4 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.0 -42.22 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.1 110.916 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -44.59 93.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 72.1 111.152 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.53 -35.14 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.562 . . . . 74.1 111.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -66.21 -41.39 90.21 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 115.944 -0.571 . . . . 72.1 111.099 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.07 -27.53 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 65.5 111.366 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -67.43 -50.9 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 63.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.0 p -59.35 -35.75 74.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 74.3 111.132 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.3 -36.82 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 62.2 111.29 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -35.94 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 73.1 111.017 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -71.07 -36.12 72.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 75.4 111.03 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.83 -30.2 71.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.027 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.31 70.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 64.2 111.059 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -41.53 79.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.058 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.52 94.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 72.2 111.227 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.84 -32.27 69.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.929 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -29.43 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.923 0.392 . . . . 64.4 111.254 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.43 -50.02 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 74.0 111.056 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.3 111.078 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -29.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 74.4 111.079 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.85 -49.52 14.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 64.3 111.157 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 72.4 111.436 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -43.88 89.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.156 -0.475 . . . . 72.3 111.041 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.5 p -68.66 -44.02 74.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 63.5 110.577 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 tttp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.929 . . . . 73.1 110.936 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.803 0.335 . . . . 72.3 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 p -126.38 140.68 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.1 110.913 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.6 p -107.56 116.74 32.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.981 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.47 174.21 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 64.4 110.947 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -78.03 -33.01 51.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.77 -40.46 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 55.4 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.99 -33.31 71.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.955 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.35 -30.46 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 63.4 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -37.76 77.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 44.4 111.191 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.98 -30.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -30.76 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 74.5 111.02 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.74 -30.59 56.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.951 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.63 -30.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 74.2 111.182 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -73.85 -39.89 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.992 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -27.54 61.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.4 111.019 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.82 -42.44 49.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 75.5 111.25 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -66.05 -46.18 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.017 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -30.05 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 74.3 110.933 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.9 -45.12 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.14 -31.31 61.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 73.1 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -25.52 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 64.1 110.955 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.59 27.54 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 63.2 111.441 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 57.09 32.66 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 75.2 111.119 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.54 46.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.395 . . . . 64.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -50.57 -44.93 56.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 75.4 111.192 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -42.37 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.3 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -42.77 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.2 110.766 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.0 69.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.42 -49.27 78.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.953 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -32.9 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.899 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.02 -39.16 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.962 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.96 -49.05 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.996 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.15 -30.35 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.986 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.39 -43.86 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 61.4 110.953 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 61.3 111.126 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -32.67 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 70.0 111.231 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.53 -34.87 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 71.4 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -73.03 -33.54 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.06 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' HG22 ' A' ' 56' ' ' ILE . 7.8 m-85 -72.15 -42.79 65.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.3 110.973 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.5 110.987 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -64.78 -38.78 92.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 73.3 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.08 95.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.1 111.069 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.95 -49.07 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.148 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -52.99 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.5 111.011 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.78 -64.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.127 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -98.38 90.54 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 75.2 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.76 153.27 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 71.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.68 -169.2 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 75.4 110.81 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.48 169.45 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.472 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.121 -0.491 . . . . 51.5 110.931 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.73 -50.25 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.95 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.14 -35.01 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.746 -0.661 . . . . 73.5 111.207 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -67.88 -36.56 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 62.5 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -37.1 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.84 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -64.36 -45.08 89.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 61.4 111.056 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 39' ' ' PHE . 15.2 mt -70.7 -41.09 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 71.4 111.394 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.122 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.74 -29.91 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 74.4 111.068 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 30.8 mttt -70.81 -36.93 73.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 70.1 110.984 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.82 -34.96 79.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.87 -46.94 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 74.3 111.307 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -30.91 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.3 111.041 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 8.7 m-85 -70.98 -35.9 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 72.2 111.023 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.49 -30.91 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 54.1 111.074 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -29.4 60.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.046 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -32.37 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 75.2 111.014 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.21 -34.88 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 74.0 111.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.01 -37.61 83.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.24 -0.436 . . . . 64.3 110.866 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -72.85 -29.92 63.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.957 0.408 . . . . 73.4 111.414 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.58 -48.83 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 65.4 111.104 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -63.58 -45.86 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 75.1 111.036 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -28.91 69.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.97 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.26 -50.39 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 64.4 111.386 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.14 -36.23 74.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.301 -0.409 . . . . 74.4 111.601 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -67.31 -48.96 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 74.3 110.799 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.4 m -63.31 -57.0 11.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.552 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.254 -0.879 . . . . 72.1 110.81 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.845 0.355 . . . . 75.0 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p -141.51 168.23 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.966 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 m -106.26 108.54 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 75.1 110.884 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.76 175.99 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m -72.69 -32.8 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.929 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.32 -38.92 78.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.954 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -69.53 -40.31 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.873 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -30.42 70.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 72.2 110.962 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.17 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.213 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.32 -30.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.2 111.163 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -30.11 67.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 64.1 110.98 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.0 -30.75 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 70.3 111.025 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.17 -30.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -71.67 -37.72 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 60.1 111.0 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -73.04 -29.93 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 64.1 110.965 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.67 -47.48 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.217 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -58.8 -46.57 87.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.999 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.47 -37.35 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.927 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.57 -47.76 80.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -28.27 42.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.165 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -72.95 -29.57 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 73.5 110.984 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.84 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.3 111.285 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 56.41 58.06 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.025 0.441 . . . . 74.3 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.31 46.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 71.1 110.85 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -52.54 -30.7 31.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.067 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.26 -51.91 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 75.5 110.866 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -67.26 -40.73 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.901 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.91 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.3 111.123 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.82 -43.39 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -31.53 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.02 -38.23 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 63.4 110.952 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -45.42 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.4 111.003 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.78 -29.77 67.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 54.0 110.998 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.07 -47.27 59.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 74.2 110.974 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.21 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.252 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 t -69.58 -36.73 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 74.0 111.192 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.04 -31.35 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.2 111.042 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -73.08 -35.05 66.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.3 111.045 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.94 -47.93 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.4 111.073 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.93 -43.85 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 73.3 110.988 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.29 -30.42 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.039 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.2 91.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.244 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mt -73.01 -46.17 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.911 -0.586 . . . . 74.3 111.484 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -60.02 -39.1 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.2 111.079 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -91.02 -63.95 1.2 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.55 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -97.31 91.85 5.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.972 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.37 173.03 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 75.2 111.074 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.79 -169.26 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.0 110.856 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -63.1 170.12 3.01 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.107 0.479 . . . . 73.2 110.451 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -39.75 82.32 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.56 -0.745 . . . . 74.3 111.023 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -58.96 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.2 111.123 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.22 -29.94 61.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.995 -0.548 . . . . 71.1 111.071 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -74.14 -48.88 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.67 0.272 . . . . 72.0 111.063 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -37.08 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 73.3 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -59.01 -50.32 74.56 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.875 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 mt -71.02 -36.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.166 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.89 -52.1 61.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.382 -0.372 . . . . 75.4 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 71.3 111.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -70.21 -36.28 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 71.2 111.008 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -35.98 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.022 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 -39.64 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.291 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -31.89 61.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.973 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.91 -35.97 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 75.1 111.031 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.09 -29.3 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.059 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -30.9 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 73.1 111.014 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -42.61 36.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 72.4 110.982 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.07 71.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 61.2 111.273 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.29 -37.55 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 70.2 111.065 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.94 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.99 0.424 . . . . 72.2 111.174 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.43 -38.74 85.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.1 110.958 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.69 -46.08 63.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 54.2 111.014 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -28.82 66.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 63.5 111.136 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -76.48 -49.9 15.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.273 -0.421 . . . . 73.4 111.158 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.68 -32.42 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 52.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -36.4 65.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 75.5 110.87 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -67.33 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 63.5 110.976 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.368 -0.825 . . . . 73.2 110.705 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.821 0.343 . . . . 73.4 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 m -87.79 113.59 23.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.3 111.002 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 t -129.01 168.07 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.902 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t -61.59 162.54 8.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 71.4 110.756 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -31.45 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 64.1 110.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.14 -45.63 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 62.3 110.932 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -30.93 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 75.2 111.028 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -67.75 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.999 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.7 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.5 111.216 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.85 -29.69 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -29.58 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.392 . . . . 43.3 111.005 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.6 -30.45 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 70.4 110.993 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 t -80.03 -29.91 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 63.5 111.181 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.8 m -70.08 -39.36 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 75.3 110.988 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -46.18 54.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 45.1 111.255 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 t -59.12 -43.52 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 73.3 111.046 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.98 -38.26 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.999 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.25 -42.73 88.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 62.2 111.012 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -53.95 -34.46 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 72.1 111.023 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -23.22 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 75.2 111.097 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.17 26.73 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 73.3 111.42 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.66 36.97 28.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 62.1 111.028 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -109.44 46.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.769 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -51.55 -34.97 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.03 -40.87 87.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.894 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.84 -32.17 65.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.955 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.81 80.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 73.3 111.176 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.63 -48.25 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.5 110.957 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -70.72 -33.93 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.04 -40.19 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 64.3 110.961 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -69.79 -46.56 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.954 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.3 -31.44 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.5 111.033 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.82 -37.28 76.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.032 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.21 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 70.3 111.242 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.02 -42.57 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.203 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.05 -47.96 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 71.3 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -61.16 -39.46 90.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.02 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.85 -53.02 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.965 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.62 -45.96 90.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 51.3 110.973 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -60.67 -30.54 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 73.1 110.988 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.03 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.208 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.9 mt -78.05 -47.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 74.5 111.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -53.05 62.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.365 -0.38 . . . . 75.5 110.977 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -73.62 -64.32 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.007 0.432 . . . . 53.4 111.211 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.64 82.41 3.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 72.1 110.938 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.94 123.57 30.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.121 -0.491 . . . . 75.5 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.3 -165.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.87 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.69 171.51 2.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.335 -0.393 . . . . 73.0 111.302 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -34.03 71.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.707 0.289 . . . . 73.1 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.5 86.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 75.3 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.28 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.212 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -67.66 -47.49 69.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 65.5 110.934 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.97 -38.55 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 62.2 110.841 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -60.27 -48.8 80.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.352 -0.386 . . . . 71.4 110.894 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.19 -39.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.1 111.154 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -60.23 -37.18 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 73.4 111.042 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.01 -28.05 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.4 111.163 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -68.51 -51.08 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.3 111.163 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.59 -40.37 83.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 75.4 111.188 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -36.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 54.2 111.139 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -36.3 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 63.4 111.076 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -70.98 -36.29 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.021 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.56 -39.5 93.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.987 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.5 -48.08 76.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 54.4 111.105 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -60.85 -46.63 89.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.5 111.083 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.85 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.261 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.56 -39.14 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.397 . . . . 73.5 111.179 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -33.35 74.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.224 0.535 . . . . 72.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.1 -39.47 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 73.0 111.06 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -66.97 -47.77 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.028 0.442 . . . . 74.2 110.966 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -29.04 70.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.266 -0.424 . . . . 70.1 111.374 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.94 -50.05 32.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.166 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.53 -38.74 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.143 0.497 . . . . 70.5 111.241 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.92 -53.14 60.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 73.2 110.847 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -59.88 -51.66 68.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 74.3 111.047 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.304 -0.855 . . . . 75.2 110.922 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.784 0.326 . . . . 60.3 111.225 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 m -135.49 141.45 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.889 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -96.45 116.16 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.74 177.64 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 60.1 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m -78.04 -39.5 41.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -34.61 63.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -31.09 68.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 63.4 110.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.09 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 75.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 mt -73.05 -30.29 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 72.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.2 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.03 -30.68 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 75.2 111.036 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -74.14 -30.66 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 63.4 111.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -72.24 -40.35 67.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -27.83 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.5 111.048 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.91 -49.59 36.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 65.2 111.308 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.66 -46.96 86.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 74.4 111.146 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.24 -29.91 70.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 63.3 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.57 -39.48 58.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 75.5 111.03 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -48.03 70.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 63.1 111.011 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -16.3 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 74.3 111.362 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.12 24.52 4.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 53.1 111.495 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 56.41 38.17 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 71.4 111.091 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.74 46.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.2 110.801 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -52.87 -38.14 61.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.2 111.18 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -52.33 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.06 -39.99 94.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.98 69.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.177 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.02 -45.89 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.4 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -77.75 -30.8 51.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.964 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.82 -43.47 71.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.978 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -69.19 -46.76 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.968 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.62 -31.03 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 62.2 111.035 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.79 -45.78 60.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 74.5 111.075 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.61 70.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.18 -32.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 73.3 111.247 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.97 -33.82 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 54.4 111.038 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.96 -31.32 64.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 71.1 111.009 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.51 -46.7 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.031 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.57 -41.77 90.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.3 111.073 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.8 t60 -68.31 -34.26 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.87 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -73.51 -46.38 48.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -45.11 92.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 64.1 111.023 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 8.8 m-85 -81.92 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 73.3 111.386 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -98.3 93.58 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.974 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.82 107.63 18.76 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.888 0.375 . . . . 52.5 111.153 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -83.65 -174.66 5.41 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.857 -0.611 . . . . 71.0 110.745 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -63.19 173.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.636 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -42.2 79.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 72.4 111.079 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.77 -49.4 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 43.1 110.771 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.09 -34.58 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.672 -0.24 . . . . 63.4 111.03 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -71.56 -35.27 70.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.822 0.344 . . . . 70.4 110.905 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -74.08 -37.07 64.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 72.1 110.828 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 72.3 111.024 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 mt -71.32 -39.7 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.065 -0.516 . . . . 54.2 110.993 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -45.03 92.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 74.2 110.918 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.58 -29.82 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 72.1 111.008 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -69.37 -38.88 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.991 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.7 m -65.42 -32.94 74.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 65.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.44 -42.57 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.284 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.3 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 12.9 m-85 -71.11 -36.01 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.018 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -73.46 -29.82 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.4 111.151 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.15 -30.93 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 61.4 111.061 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -32.16 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.3 111.002 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.98 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.249 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -32.05 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 65.2 110.976 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -73.44 -30.17 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.155 -0.475 . . . . 71.3 111.002 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.17 -35.94 74.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.021 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -73.31 -47.17 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 72.0 110.99 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -28.93 66.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.958 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -76.3 -50.34 14.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 72.4 111.084 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.29 -36.96 74.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 74.3 111.153 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.68 -31.15 64.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.281 -0.418 . . . . 72.2 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 m -68.66 -50.8 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.94 0.4 . . . . 63.5 110.898 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.285 -0.864 . . . . 71.5 110.916 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.827 0.346 . . . . 74.2 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 p -67.0 158.33 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 70.1 110.898 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 p -96.53 154.67 17.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 75.2 110.884 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 -176.08 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.4 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -72.36 -31.37 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.5 -44.37 67.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.914 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -37.36 87.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -65.49 -43.31 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.891 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.85 87.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 75.3 111.138 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.21 -29.52 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.205 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.62 -35.25 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.001 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.0 -30.44 68.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 73.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.26 -29.64 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 74.1 111.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -69.38 -42.78 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.116 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -44.3 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.3 111.411 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.5 111.12 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.84 -30.74 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 74.5 110.95 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -38.53 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.4 111.013 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -48.09 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.5 111.04 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.01 -15.63 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.345 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.39 26.72 3.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.744 0.307 . . . . 73.3 111.464 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 56.44 29.88 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 70.5 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -110.9 46.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -51.86 -43.77 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.4 111.164 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.11 -45.65 90.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -39.19 79.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.2 110.88 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.62 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.183 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.25 -39.96 93.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.42 -38.27 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.14 -32.58 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.2 -42.43 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.964 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.95 -30.41 70.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 72.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -69.46 -37.58 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.971 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.33 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.137 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.7 t -73.33 -33.12 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 75.3 111.145 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.95 -33.07 71.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.029 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.95 -36.66 67.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 75.2 110.98 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -66.61 -44.28 82.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 72.5 110.978 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.82 -46.07 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.2 111.08 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -66.76 -30.9 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.02 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.7 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 72.4 110.98 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -77.92 -39.1 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.983 0.421 . . . . 74.4 111.301 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -53.05 60.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 74.2 110.953 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 41.9 m-85 -82.69 -64.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.463 -0.335 . . . . 72.1 110.867 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -85.19 78.71 9.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.144 0.497 . . . . 73.3 110.796 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 128.74 34.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 75.1 111.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.82 -167.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.4 110.835 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -62.65 172.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.111 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.54 -0.3 . . . . 73.5 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.08 87.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 73.5 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.7 -43.62 58.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.032 0.444 . . . . 51.0 111.41 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 74.3 110.958 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.95 -38.42 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 61.3 111.083 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.82 -44.57 93.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 61.1 111.155 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.76 -42.99 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.164 0.507 . . . . 65.3 111.371 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -59.74 -36.08 75.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.838 -0.619 . . . . 71.1 110.961 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.14 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.975 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -35.0 62.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 72.2 111.035 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -51.02 71.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 74.1 111.089 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.278 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -42.05 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 71.4 111.069 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.19 -36.29 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.991 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.1 mt -67.29 -37.57 83.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 63.3 111.03 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.03 -44.91 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 73.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.88 -44.91 96.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.5 111.031 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 54.0 111.279 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.46 -32.0 69.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.2 111.021 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -72.78 -32.27 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 71.4 110.975 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 -46.09 76.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 61.0 111.031 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.69 -48.32 82.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 63.2 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -30.23 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.1 111.21 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -69.03 -50.08 51.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 74.1 111.026 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.32 -31.29 63.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.176 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -66.49 -44.31 82.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 75.1 111.058 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -54.9 37.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 74.1 110.673 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.228 -0.891 . . . . 74.4 110.889 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.863 0.364 . . . . 72.2 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.4 p -111.61 149.68 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 73.3 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.5 p -111.33 102.2 10.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.973 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -176.05 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.849 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -72.18 -41.29 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.864 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.71 -43.87 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -63.86 -31.38 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -34.3 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.941 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 39' ' ' PHE . . . -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 63.4 111.173 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 mt -72.06 -30.62 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.143 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -31.49 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 4.0 mm? -74.08 -31.15 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.1 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.99 -30.23 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -74.17 -40.89 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 53.1 110.909 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.56 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.1 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -49.14 41.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.135 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -59.38 -47.8 84.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.994 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -62.83 -40.56 97.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 73.2 111.008 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.91 97.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -30.45 49.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.055 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -75.01 -25.74 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.985 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 28.36 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 73.2 111.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 58.53 56.22 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 63.5 110.9 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -123.95 46.03 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -54.02 -36.92 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.4 111.112 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -39.95 79.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.958 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -40.48 65.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 73.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.62 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.259 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.2 tp -61.46 -50.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.5 110.966 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -72.34 -31.07 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 70.3 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 2.7 mm? -70.98 -47.54 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.941 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -65.88 -41.52 91.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.3 111.004 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.47 -30.98 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.98 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -48.34 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 63.3 110.968 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -29.88 66.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.292 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.2 -34.06 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.183 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.05 -34.67 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 72.4 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.63 -34.2 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 71.2 111.023 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 9' ' ' ALA . 15.7 m-85 -69.39 -44.11 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 74.5 111.019 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.37 -43.17 99.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 73.3 111.012 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.93 -30.75 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.099 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.7 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.3 111.224 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -66.61 -48.12 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 50.2 111.469 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -58.69 -50.25 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.16 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 72.3 111.344 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -98.83 91.28 5.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.353 . . . . 74.3 110.99 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 148.4 22.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 62.2 111.019 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.96 -168.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 71.1 110.76 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -62.73 168.3 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 62.1 110.95 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.78 69.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 70.2 111.193 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -64.78 -49.69 69.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.995 -0.548 . . . . 74.5 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -30.89 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 71.3 111.194 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -72.13 -34.59 68.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.368 -0.378 . . . . 73.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.31 -41.77 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.2 111.001 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -44.62 95.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.848 0.356 . . . . 71.3 110.966 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.4 mt -71.12 -46.5 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 74.1 111.029 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpt85 -58.73 -47.29 85.11 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.07 -0.513 . . . . 75.5 111.031 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -30.0 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.048 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.17 -35.4 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 74.0 111.029 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.6 -35.62 81.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.5 111.056 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.21 -50.02 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.265 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -30.0 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.2 111.117 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.64 -35.97 75.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.38 -29.85 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 75.2 111.113 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -33.88 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 75.2 111.057 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -76.52 -32.04 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 75.2 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.66 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.4 111.2 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -46.92 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -60.98 -29.25 69.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 75.0 111.245 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.98 -49.97 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.3 111.143 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -66.21 -31.4 72.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.126 0.489 . . . . 74.2 111.03 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.73 -29.07 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.868 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.73 -47.63 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.383 -0.371 . . . . 70.2 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.01 -41.85 70.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.235 -0.438 . . . . 72.1 111.158 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 mtp-105 -60.2 -53.59 55.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 74.1 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -56.84 16.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.223 -0.444 . . . . 75.3 110.976 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.522 -0.751 . . . . 74.2 110.881 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 52.4 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -156.67 126.12 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -118.13 128.17 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -177.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 75.2 110.887 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -31.63 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.023 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.89 -44.64 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -67.46 -30.8 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 74.3 110.981 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -63.74 -34.89 78.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.4 111.222 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mt -67.28 -29.56 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 54.3 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.62 -35.05 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 70.5 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 t -70.71 -30.53 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.164 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 -39.13 54.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.3 111.041 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -72.92 -29.65 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -75.96 -46.05 31.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 111.239 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -58.46 -43.53 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 52.4 111.069 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.12 -30.85 70.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.5 -42.21 65.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.111 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.95 -38.85 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -74.93 -22.04 58.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.1 111.035 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.63 25.29 4.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.48 -0.327 . . . . 75.1 111.475 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 56.66 40.89 29.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 73.1 111.033 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -115.23 46.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -52.63 -30.86 33.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 74.1 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -47.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 74.1 110.898 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -37.86 72.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -32.05 68.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.1 111.142 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.38 -44.71 78.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.52 -32.68 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.2 110.985 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 2.0 m-85 -67.23 -40.78 86.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 62.3 110.967 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -59.34 -31.37 69.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 72.5 111.027 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.83 -41.98 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 72.3 111.046 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.71 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 72.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.18 -49.47 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.227 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.71 -30.75 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.4 111.005 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.1 m-85 -74.07 -42.92 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.987 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.45 -46.13 91.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 74.4 111.014 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.6 t60 -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.5 111.011 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -35.62 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 61.4 111.084 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -77.97 -44.77 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 72.1 111.225 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -52.91 63.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.859 -0.61 . . . . 73.4 111.113 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 11.3 m-85 -76.54 -64.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.83 79.91 5.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 73.2 110.933 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.0 122.57 28.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.245 -0.434 . . . . 75.4 110.957 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.23 -166.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 74.4 110.755 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.62 172.06 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 54.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -31.49 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.2 111.058 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -63.08 -45.21 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.977 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -44.05 56.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 63.2 111.094 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -59.24 -48.79 80.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.054 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.71 -40.17 91.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 72.2 111.0 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -60.02 -46.79 88.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 71.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.95 -46.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.398 -0.365 . . . . 74.2 111.195 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -59.66 -37.35 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.2 111.007 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.85 -30.75 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.0 111.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -40.02 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 61.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.97 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.66 -49.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.4 111.257 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.7 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 63.5 111.147 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -70.05 -36.13 74.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 74.1 110.95 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.91 -31.03 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 62.5 110.907 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.02 -31.09 61.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 73.3 110.972 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -46.73 39.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.5 111.011 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.75 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 72.2 111.255 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.51 -32.37 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.48 62.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.92 0.39 . . . . 64.5 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.2 -50.05 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 52.3 111.033 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -39.91 94.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 61.4 111.083 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -29.57 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.3 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -71.56 -50.21 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.86 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.74 -39.63 69.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.12 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -62.15 -52.13 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 74.2 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 m -60.25 -44.35 95.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.405 . . . . 74.1 110.922 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 tttp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.177 -0.916 . . . . 73.2 110.819 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.879 0.371 . . . . 54.2 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 m -109.11 128.03 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.864 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 m -75.99 137.03 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 64.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -97.97 171.15 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 62.2 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -76.16 -32.98 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 61.5 110.836 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.0 -45.56 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 63.3 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -62.42 -30.84 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.4 111.04 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.6 -41.81 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 74.2 110.967 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.41 -33.8 76.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.184 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mt -70.32 -29.51 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.3 111.205 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.4 -30.18 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 62.1 111.073 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.51 -44.77 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 16.1 m -65.19 -28.98 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 53.3 111.281 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.1 m -73.83 -36.99 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 74.2 110.957 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.95 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.61 24.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 71.2 111.33 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.95 -48.59 80.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -29.94 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 71.3 110.937 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.28 -44.48 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 72.2 111.035 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.9 -33.37 56.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 62.5 111.023 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -75.0 -25.58 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.034 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.53 27.08 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 62.3 111.373 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.2 46.34 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 73.2 111.051 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -121.69 46.19 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 71.3 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -51.35 -42.83 61.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -42.59 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.85 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.59 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.836 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.02 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.065 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.53 -53.5 55.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -66.82 -34.77 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 72.2 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.91 -35.68 72.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.959 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -76.03 -39.92 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.967 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.45 -36.37 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.976 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.34 -45.56 83.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.1 111.076 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.6 -37.69 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 72.5 111.253 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 t -65.93 -31.21 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.148 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -70.06 -35.42 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -72.67 -39.67 66.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.4 111.039 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -62.85 -50.11 72.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.976 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -44.39 91.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 75.5 111.003 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -62.55 -30.62 71.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 74.4 111.057 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.1 111.231 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt -76.76 -51.47 19.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.904 -0.589 . . . . 75.2 111.122 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -53.3 59.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 75.1 110.971 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -69.95 -64.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 75.1 111.219 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.1 83.03 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 74.2 111.017 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.06 118.07 22.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 71.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -167.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.2 110.773 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -63.11 171.72 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 73.0 110.715 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.17 -36.18 74.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.947 -0.569 . . . . 53.4 111.003 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.96 88.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.853 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.95 -43.43 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.4 111.106 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -60.75 -43.04 98.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.14 -40.68 71.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.265 -0.425 . . . . 65.3 110.949 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -60.02 -44.49 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 71.1 110.906 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.16 -43.3 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 65.3 111.005 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.46 -42.03 91.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 63.5 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.94 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 64.3 111.147 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 21.6 mtpt -73.84 -34.96 64.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.0 111.066 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.87 -40.22 91.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 74.2 111.057 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.3 -37.05 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.265 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.38 -39.09 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 74.3 110.965 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 30.7 m-85 -71.07 -41.77 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 71.5 110.987 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -39.94 88.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 75.3 111.075 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -34.65 74.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 72.4 110.999 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.014 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.08 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.23 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -44.08 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.4 111.153 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -29.79 67.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 73.1 111.092 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.5 111.018 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -68.74 -43.52 75.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 63.1 111.092 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -29.17 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.909 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -68.65 -50.29 52.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 73.3 111.134 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.9 -29.99 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 71.3 111.081 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -54.85 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 63.3 110.809 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -58.15 -58.25 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.4 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.326 -0.845 . . . . 71.5 110.968 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.777 0.322 . . . . 73.5 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 p -90.32 130.76 36.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 62.2 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -81.48 161.38 23.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 74.2 110.91 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -127.42 179.11 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -78.07 -36.8 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.99 -41.0 74.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.2 110.932 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -44.17 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -62.02 -42.48 99.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 72.3 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.95 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.203 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -64.57 -29.78 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 70.3 111.175 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.27 -30.63 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.3 110.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.05 -45.73 39.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.965 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -30.27 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 42.4 111.209 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -69.7 -44.49 70.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.063 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -73.0 -27.24 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.089 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -74.55 -46.66 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 70.1 111.296 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -63.77 -47.26 81.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.979 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -33.02 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 71.4 110.984 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.44 -46.09 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.97 -32.02 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 74.2 111.079 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.03 -25.54 58.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 64.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.51 26.29 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 60.1 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttp 56.8 55.56 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 64.2 111.005 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -124.04 46.15 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.52 -30.68 21.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 73.3 111.239 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.89 -51.42 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.821 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.32 70.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.22 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -76.07 -33.91 59.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.3 111.002 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.07 -32.03 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.1 110.961 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.94 -49.5 17.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -59.45 -36.54 76.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.092 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.13 -36.94 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.053 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.54 -34.2 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 53.5 111.219 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.42 -30.38 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 71.3 111.193 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.04 -34.8 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.998 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -73.0 -34.12 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -69.64 -44.02 71.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.4 111.028 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.03 -46.1 85.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 74.1 110.977 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -62.02 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.46 82.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 37.5 111.141 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -73.06 -42.26 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.25 -0.432 . . . . 73.2 111.139 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -43.98 94.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.99 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -90.53 -64.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.99 0.424 . . . . 75.3 110.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.59 92.82 9.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.733 -0.667 . . . . 72.3 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.1 134.59 38.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.015 -0.538 . . . . 55.5 111.176 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.56 -168.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 74.1 110.841 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -62.91 170.19 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 71.5 111.005 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -38.35 76.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 73.3 111.06 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.86 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.002 -0.544 . . . . 74.4 110.924 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.16 63.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 70.4 111.015 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -67.31 -38.84 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 63.3 111.122 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.44 -39.6 77.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.964 -0.562 . . . . 75.5 110.979 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -59.58 -46.95 87.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 73.1 110.977 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.31 -34.74 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 71.3 111.092 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -65.24 -40.91 94.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 74.0 111.065 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.99 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 70.4 111.088 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -66.18 -50.96 62.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.14 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -60.14 -34.58 73.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.112 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 t -67.0 -36.06 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 75.4 111.234 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.05 -36.29 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.118 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -70.34 -36.02 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.3 111.089 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.81 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -30.59 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 64.1 111.098 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -79.24 -33.67 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 60.2 111.026 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.85 67.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.294 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.16 -51.48 37.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 75.1 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -37.09 74.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.299 0.571 . . . . 72.3 111.265 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.13 -45.25 93.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 73.5 111.048 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.17 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 55.5 110.932 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -29.03 69.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 73.0 111.081 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.59 -49.23 27.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.066 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.45 -29.22 63.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.521 -0.309 . . . . 63.4 111.24 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -73.3 -36.64 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 74.2 110.98 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -67.0 -58.93 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 73.4 110.601 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.348 -0.834 . . . . 73.1 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.842 0.354 . . . . 52.3 111.199 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.1 t -119.89 113.83 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.3 110.892 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -71.15 129.95 40.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 65.3 110.931 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -179.64 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.1 110.874 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -75.15 -32.09 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 71.3 110.826 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.72 -33.34 66.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.53 -31.12 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.938 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -72.71 -38.27 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.04 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 71.3 111.067 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.91 -30.41 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.3 111.187 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -31.94 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 60.5 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.29 -32.61 64.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.953 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.67 -30.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.099 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -70.63 -41.79 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 71.4 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -73.03 -29.87 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.937 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -72.47 -48.96 36.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 73.2 111.244 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -58.97 -46.79 87.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 71.2 111.028 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.82 -37.44 87.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.5 110.975 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.04 -45.53 88.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 61.4 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -33.01 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 74.3 111.045 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.66 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.009 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 27.56 3.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 74.3 111.394 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.38 50.36 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 64.1 110.95 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -120.99 46.1 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 70.1 110.881 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -53.11 -32.15 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 73.4 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -50.48 48.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.74 -39.51 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 72.5 110.836 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.93 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.82 -43.41 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -35.85 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.71 -48.27 69.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.2 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 2.7 m-85 -64.61 -41.51 96.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.988 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -71.37 -39.69 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.045 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.08 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 65.5 111.284 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.85 -54.12 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 71.1 111.299 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.15 -35.89 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -66.12 -31.08 71.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.955 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -74.05 -43.44 57.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.951 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.76 -43.61 94.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.049 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -65.03 -30.26 71.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 73.4 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.29 -34.54 74.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.219 -0.446 . . . . 62.4 111.018 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.88 -47.53 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 62.2 111.22 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -52.4 65.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.2 110.959 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.39 -64.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 73.5 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -95.15 83.88 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 71.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.09 116.19 24.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.919 -0.582 . . . . 73.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -167.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 73.2 110.824 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.28 172.59 1.85 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.085 -0.507 . . . . 54.5 110.945 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.45 -35.03 73.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 74.5 110.786 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -60.66 -49.99 75.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 64.4 110.981 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.41 63.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 71.5 110.943 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -67.0 -37.1 83.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.379 . . . . 71.3 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -74.08 -36.97 64.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.073 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -64.53 -44.87 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 73.3 111.055 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.04 -41.65 79.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 121.159 0.504 . . . . 63.5 111.376 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -59.7 -47.49 85.42 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.858 -0.61 . . . . 74.3 111.105 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.42 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 64.4 111.074 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -67.71 -35.8 79.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 65.5 110.906 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.54 -35.36 78.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 72.4 111.067 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.7 -38.05 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 74.1 111.168 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -41.24 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.048 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 22.9 m-85 -66.61 -35.98 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 71.2 110.998 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.97 -30.19 68.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 72.2 111.039 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -30.12 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 72.2 111.126 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -31.94 53.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 64.2 111.035 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.24 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.213 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -41.34 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 75.3 110.921 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.74 78.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 75.1 111.073 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.58 -41.94 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.0 -46.5 77.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.963 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -28.95 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.1 111.026 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -76.76 -49.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 74.5 111.194 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.64 -30.95 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 75.5 111.34 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -79.16 -46.94 16.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.923 0.392 . . . . 73.2 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 t -60.44 -38.66 84.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 72.1 110.836 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.182 -0.913 . . . . 73.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.671 0.272 . . . . 54.3 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.8 p -100.31 135.23 42.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m -137.55 160.94 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.3 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m -71.83 140.79 49.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.905 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -76.9 -33.3 57.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.961 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.92 -43.99 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 75.3 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -66.41 -33.17 75.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -32.22 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.82 -34.79 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 71.4 111.187 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -72.95 -29.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.1 111.115 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -30.31 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.3 111.102 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.81 -33.94 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 72.3 111.072 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 16.3 m -79.98 -30.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 74.2 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.8 m -72.52 -35.74 68.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.02 62.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.048 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -47.63 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.2 111.258 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -58.43 -43.4 88.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 70.5 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.05 -30.58 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 61.3 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -37.55 62.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.94 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.95 -47.99 70.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 61.3 110.991 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.28 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.245 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.71 23.61 5.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.561 -0.291 . . . . 73.2 111.435 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.38 45.71 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 53.1 111.057 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -124.06 46.11 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 71.3 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.34 -41.62 60.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.66 -37.45 87.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 64.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.12 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.4 111.236 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.72 -51.21 69.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 61.2 110.977 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -32.26 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.04 -43.13 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 71.3 111.008 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -46.18 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 75.1 111.036 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.22 -33.44 70.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.089 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.66 -37.51 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 64.3 111.07 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 73.2 111.303 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.88 -30.48 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.4 111.217 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.04 -39.22 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 74.1 111.025 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.61 -32.53 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 55.3 111.005 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.06 -44.36 69.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 72.2 110.975 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -35.47 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 74.5 110.972 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -73.47 -30.75 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.3 110.926 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.39 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 73.4 111.119 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.1 -47.96 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 61.3 111.069 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -59.68 -52.71 64.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 73.2 111.045 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -74.54 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 74.2 111.276 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -94.15 83.17 4.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 71.1 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.65 113.66 24.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.091 -0.504 . . . . 71.4 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.98 -169.31 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.884 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -63.32 170.43 3.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.128 -0.487 . . . . 74.1 110.77 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.3 -37.96 76.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.373 -0.376 . . . . 73.3 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -50.01 75.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 63.5 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.97 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.057 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.36 96.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 65.5 111.09 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -36.97 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 75.4 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.83 97.6 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.261 -0.427 . . . . 70.4 111.06 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.05 -44.76 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 71.3 111.146 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.454 -0.339 . . . . 72.2 111.096 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.5 70.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 61.2 111.212 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -69.19 -38.98 78.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.073 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.89 -33.81 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 43.2 111.03 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.65 -38.4 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 72.2 111.248 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -36.48 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 75.3 111.075 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 31.8 m-85 -70.95 -36.1 72.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 75.5 111.077 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.24 -36.02 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.4 111.098 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -29.21 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 71.4 111.152 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmm-85 -77.69 -39.73 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 75.2 111.013 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.01 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 73.3 111.298 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.83 -32.57 71.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.247 -0.433 . . . . 74.3 111.043 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.77 61.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 71.1 111.012 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.22 -46.57 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.038 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -31.77 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 44.1 111.079 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -29.78 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.4 110.583 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -73.23 -48.42 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.481 -0.327 . . . . 73.4 111.042 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.64 -41.0 76.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.378 -0.373 . . . . 71.2 111.067 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -58.41 -42.26 86.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 72.2 111.072 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -67.8 -44.95 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 70.4 111.079 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.221 -0.895 . . . . 75.3 110.983 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.756 0.312 . . . . 74.4 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t -134.88 130.39 35.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 64.2 110.889 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.2 p -82.98 143.62 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.96 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 177.58 6.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -78.02 -36.62 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.2 110.94 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.98 -36.07 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 73.5 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -72.05 -30.88 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -71.13 -43.58 67.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 65.5 110.913 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.79 82.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 51.5 111.287 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mt -69.84 -29.86 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.166 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -30.1 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 71.4 110.983 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.79 -31.73 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.934 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 t -78.69 -30.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 75.5 111.085 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 m -71.63 -37.28 70.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 62.3 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.16 64.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.001 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.31 -46.69 48.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.213 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -59.67 -45.67 91.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.38 -32.29 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 71.5 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -39.81 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.988 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -38.48 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 71.4 111.032 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.46 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 73.4 111.042 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.19 25.86 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 52.1 111.355 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 56.89 48.4 16.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 75.5 111.065 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.34 46.08 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -53.85 -34.13 58.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.058 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.2 -45.09 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 55.3 110.828 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -39.68 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.826 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.07 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.3 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 70.4 110.869 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.34 64.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.77 -45.14 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.3 110.898 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 2.1 m-85 -67.84 -41.85 82.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.965 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -62.58 -32.74 73.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.0 -41.64 67.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 72.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.97 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.0 111.244 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.76 -33.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.1 -34.06 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -72.91 -30.89 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 65.3 110.983 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.34 -43.88 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 53.2 110.992 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.66 -45.8 85.19 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.2 -0.454 . . . . 71.5 110.977 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.88 81.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 52.1 111.035 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.31 -44.31 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.1 111.12 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -52.61 64.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 74.1 111.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.16 -63.85 1.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.9 -0.591 . . . . 73.5 111.234 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.22 86.09 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.889 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.76 118.69 30.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 52.4 111.148 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.01 -168.04 1.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.485 -0.325 . . . . 75.3 110.85 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 175.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 71.3 110.867 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -34.6 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.884 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -52.3 65.84 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.07 -0.514 . . . . 73.5 110.808 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.19 63.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 72.2 111.21 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -70.1 -46.22 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.012 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -37.09 78.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.989 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -62.09 -47.73 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mt -71.1 -37.6 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 63.1 111.092 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 tpt85 -61.49 -40.52 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 72.2 111.117 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 71.2 111.354 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -50.92 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 65.3 111.105 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.1 p -58.92 -38.21 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 73.0 111.116 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.0 t -62.44 -36.08 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 75.2 111.173 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -73.56 -36.2 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 70.3 111.057 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.0 -35.97 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 72.3 111.048 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.48 -41.45 93.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 51.4 111.058 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 55.2 111.079 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.3 111.01 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -29.92 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 72.2 111.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -32.58 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.908 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -30.23 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 52.4 110.862 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.3 mt -73.07 -36.92 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 74.4 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.77 -41.84 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.083 0.468 . . . . 63.2 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -30.56 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 75.2 110.877 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.49 -50.23 27.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 72.1 110.951 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.23 -31.18 68.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.148 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -69.7 -38.92 77.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 73.2 110.795 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 63.4 110.748 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.198 -0.906 . . . . 75.2 110.91 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.806 0.336 . . . . 73.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 m -149.54 135.59 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -106.9 133.01 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 74.5 110.891 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 m -101.12 -178.11 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.876 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -74.91 -31.22 61.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 61.4 110.904 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.48 -45.22 55.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -30.58 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.967 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -71.07 -36.78 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.22 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 111.193 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.49 -29.68 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -30.08 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.2 111.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.0 -31.38 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 74.5 111.094 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.84 -29.66 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 m -77.5 -35.94 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 72.1 111.055 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -76.16 -45.28 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -59.22 -46.13 89.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 71.5 110.966 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.09 -38.66 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.3 111.028 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.67 -40.55 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.038 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -36.78 63.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 71.2 111.031 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -22.2 58.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 42.4 111.176 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.01 26.29 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.443 -0.344 . . . . 71.4 111.425 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 56.49 49.43 14.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 75.1 111.094 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -123.97 46.19 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.3 110.804 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -53.19 -30.31 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.1 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -47.04 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 71.4 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -41.15 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.31 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 61.4 111.161 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.84 -43.17 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.953 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.73 -34.71 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.862 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -44.17 80.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 1.2 m-85 -67.13 -42.59 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.919 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.63 -33.01 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 74.3 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -71.79 -42.03 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.4 111.017 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -35.64 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.3 111.248 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -71.15 -32.27 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 72.4 111.18 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.09 -36.09 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -73.02 -33.22 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.4 111.038 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.6 -51.28 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.997 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -46.0 89.73 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.27 -0.423 . . . . 64.5 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.1 t60 -62.93 -30.9 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.955 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.23 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 64.3 110.976 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.5 mt -77.87 -43.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 73.5 111.228 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.9 63.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 72.1 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 6.5 m-85 -77.68 -64.22 1.2 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 73.4 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.54 85.36 6.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.946 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.83 124.48 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 60.3 111.13 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.16 -166.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.833 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 170.65 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.693 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.19 -31.06 69.79 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.851 -0.613 . . . . 71.5 111.179 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -50.38 66.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 70.1 110.912 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.57 -35.08 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 74.5 111.239 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -63.58 -48.91 75.48 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.074 -0.512 . . . . 74.3 110.978 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.1 110.854 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -47.69 84.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 65.4 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.8 mt -70.6 -44.36 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.4 111.063 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.85 -42.71 94.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.873 0.368 . . . . 73.3 111.017 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.73 70.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.281 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.93 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 71.4 110.95 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -66.77 -32.94 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 63.1 110.932 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.38 -46.6 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 61.4 111.207 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.61 -42.48 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 71.5 110.935 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -59.49 -35.94 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 72.4 111.012 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.95 -37.03 78.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 72.2 111.023 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.4 111.0 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.18 -47.97 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.2 111.015 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.46 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.2 111.2 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.54 -39.64 85.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.1 111.208 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -39.4 73.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.291 0.567 . . . . 73.2 111.145 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.35 -40.25 95.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 71.4 111.006 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -48.01 64.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 72.2 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -29.35 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.157 -0.474 . . . . 41.5 110.758 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -67.92 -50.34 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.014 0.435 . . . . 73.2 111.013 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.88 -32.12 63.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.248 0.547 . . . . 64.3 111.22 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -32.21 69.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.947 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m -68.38 -50.57 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.3 110.669 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.474 -0.774 . . . . 61.3 110.796 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.788 0.328 . . . . 73.1 111.228 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -97.46 138.46 34.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.3 110.913 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -72.67 135.97 45.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.914 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -88.97 175.8 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.3 110.88 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -76.56 -34.35 58.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.1 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.32 -43.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.46 -31.11 70.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.91 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -34.5 71.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 62.4 110.873 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.22 72.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.135 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.84 -30.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 73.3 111.119 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.06 -30.63 63.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.55 -32.15 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.4 110.945 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.8 -30.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 72.1 111.203 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -70.82 -41.95 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 70.3 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -73.1 -28.54 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.0 111.012 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -71.97 -49.06 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 72.2 111.187 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -58.74 -46.71 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 70.4 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.27 -35.12 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 62.4 110.982 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -44.93 86.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 74.2 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.01 -30.08 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -27.31 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.914 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 26.43 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 62.1 111.373 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 tttt 57.1 46.16 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 71.3 111.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.97 45.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.936 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -54.08 -30.37 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.133 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.9 -50.28 50.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.17 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.3 110.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.67 81.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.3 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.24 -46.51 89.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.2 111.017 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.89 -33.5 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -76.05 -45.63 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 74.3 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.17 -33.73 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.77 -50.17 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.986 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.81 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 64.4 111.226 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.82 -36.29 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 55.5 111.092 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.03 -38.69 75.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.83 -35.83 81.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.955 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -68.97 -51.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 73.1 110.985 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.5 -38.97 82.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.045 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.56 -30.69 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 51.4 110.964 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.29 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.5 111.036 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.4 mt -71.54 -45.28 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 73.1 111.205 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -50.86 72.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -79.6 -64.16 1.25 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.139 0.495 . . . . 71.5 111.408 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.71 85.97 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 72.5 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.21 108.94 19.9 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.318 -0.401 . . . . 72.3 111.054 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -169.09 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.977 0.418 . . . . 74.3 110.777 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 171.12 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 53.1 110.915 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.11 -35.92 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.879 0.371 . . . . 73.4 110.775 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -63.05 -49.86 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 72.4 111.04 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.43 64.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 64.4 111.114 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -69.57 -32.75 71.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 74.4 111.03 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.78 -42.35 61.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.893 -0.594 . . . . 74.3 111.023 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -60.01 -40.77 90.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 74.0 110.952 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.17 -40.34 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 74.4 111.043 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -65.07 -38.08 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.451 -0.341 . . . . 71.2 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.22 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 63.5 111.339 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -35.71 61.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 71.4 110.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.43 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 71.4 110.978 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -44.4 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.1 111.311 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -74.2 -30.79 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.0 111.071 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.65 -39.15 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.041 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.46 -30.29 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.074 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 73.4 111.036 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -80.14 -32.08 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.011 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.37 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.5 111.23 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.0 -44.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.285 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.98 -29.39 67.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 75.4 111.037 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.66 -47.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.084 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 8.5 ptpt -72.66 -34.21 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.1 111.044 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -28.89 70.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.508 . . . . 74.5 111.41 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.05 -49.79 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 74.1 111.523 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 71' ' ' LYS . 4.0 pp -63.72 -43.17 97.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 64.2 111.672 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -61.67 -31.77 71.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.809 0.338 . . . . 72.1 111.048 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -54.41 43.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.987 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.329 -0.843 . . . . 73.3 110.881 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.839 0.352 . . . . 75.2 111.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -89.21 137.71 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.3 110.895 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -113.34 104.35 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.883 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -76.82 179.5 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 63.3 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -31.21 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.3 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.94 -33.8 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.872 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -71.96 -34.89 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.982 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.68 -40.6 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.932 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.67 86.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.143 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.36 -30.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.2 111.117 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -30.26 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.966 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.47 -31.09 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 72.2 110.965 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 -30.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.3 111.132 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.3 m -75.63 -34.77 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.99 -30.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.951 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -75.13 -45.31 41.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.2 111.283 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 t -58.11 -43.86 87.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 63.4 111.058 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.02 -32.26 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.93 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.18 -38.31 56.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -47.17 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.3 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -75.15 -17.45 60.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.158 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.79 24.13 4.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.514 -0.312 . . . . 52.2 111.452 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 56.73 44.95 22.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 75.1 111.17 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -123.93 46.11 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 62.5 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -51.89 -38.64 56.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 62.4 111.164 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.45 -46.28 90.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.3 110.81 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -38.93 75.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.15 -32.82 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 70.3 111.086 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.9 -48.54 76.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -34.18 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.037 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.04 -41.06 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.3 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.8 m-85 -68.49 -47.46 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.875 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.19 -39.16 81.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.3 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.14 -32.59 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.1 110.935 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -38.46 72.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.245 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.99 -32.38 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.242 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.69 -34.81 74.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.953 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -73.01 -30.8 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.1 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.92 -36.3 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.4 110.936 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -39.31 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 63.1 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -71.58 -31.44 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.5 110.957 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 74.5 111.011 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.3 mt -75.46 -44.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 60.1 111.349 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.38 69.68 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.936 -0.574 . . . . 61.5 110.948 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.32 -64.01 1.27 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.138 -0.483 . . . . 75.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.62 88.02 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 75.1 110.919 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.38 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.211 -0.449 . . . . 75.3 111.129 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.37 -169.46 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -62.86 172.43 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 74.2 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -37.92 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.533 . . . . 73.3 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.75 -49.81 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.978 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.47 64.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.517 -0.31 . . . . 54.5 111.019 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -66.1 -47.23 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 74.2 111.102 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.2 -36.99 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 73.1 110.947 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -58.33 -47.28 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.9 mt -71.06 -38.84 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 72.1 111.024 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -62.66 -41.43 99.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 75.1 110.926 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.05 70.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.969 -0.56 . . . . 62.2 111.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -69.07 -34.87 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 74.2 111.0 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -34.98 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.001 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.52 -41.97 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 71.3 111.212 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -74.93 -37.97 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 75.4 111.104 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.02 -35.99 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.022 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.73 -29.96 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 73.4 111.084 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -30.02 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 74.4 111.065 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -73.76 -45.9 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 74.3 111.078 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.65 -29.58 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 42.2 111.296 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.82 -43.28 62.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.999 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -30.14 70.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.121 0.486 . . . . 73.3 111.153 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.78 -39.57 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 71.3 111.049 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -42.27 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.4 111.085 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -28.92 67.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.998 -0.546 . . . . 72.3 111.248 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.05 -49.93 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.352 -0.386 . . . . 64.4 111.53 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.8 -38.75 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.946 0.35 . . . . 73.4 111.946 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -68.55 -30.4 69.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 72.4 110.994 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -62.1 -49.91 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 71.3 110.778 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.177 -0.916 . . . . 72.1 110.861 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.822 0.344 . . . . 55.1 111.15 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -113.56 120.5 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.939 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.3 m -72.68 161.03 31.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.913 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 169.11 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.864 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -35.73 53.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.955 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.91 -37.91 64.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.97 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -68.2 -32.96 73.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.86 -32.55 67.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 75.4 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.83 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 50.5 111.122 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.15 -30.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.5 111.209 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.72 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 62.3 111.032 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.14 -33.66 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 75.3 110.93 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 63' ' ' TYR . 18.0 m -76.39 -30.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 71.2 111.187 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 m -71.86 -37.49 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.1 111.008 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -30.23 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 75.2 111.034 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.77 -47.35 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 111.233 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.8 -35.54 81.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 70.3 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.9 -38.3 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.916 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.96 -39.26 65.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 75.4 111.006 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -75.08 -21.21 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 73.3 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.1 23.96 5.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.502 -0.317 . . . . 73.4 111.535 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.7 40.78 29.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 73.2 111.147 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.29 46.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -51.77 -39.16 58.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 72.4 111.192 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.53 -43.47 89.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -39.61 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -34.73 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.167 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.5 -43.68 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.3 110.987 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -35.52 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.003 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.97 -34.43 71.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.4 111.02 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.9 m-85 -73.01 -46.7 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.94 -36.47 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.28 -40.16 89.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.4 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -30.2 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 74.1 111.244 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.17 -32.83 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 61.3 111.288 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.02 -37.88 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.008 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -72.89 -32.54 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 63.3 111.059 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.48 -42.25 65.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 63.3 111.005 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.79 -46.0 83.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.4 111.069 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.87 -36.21 82.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 72.1 110.947 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.79 98.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 71.3 111.021 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -67.85 -51.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 64.4 111.21 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 72.3 111.079 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -74.02 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.202 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.09 88.54 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 74.2 110.989 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.13 96.91 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 53.1 111.171 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.41 -168.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 74.2 110.698 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -63.08 175.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.706 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.86 -31.27 72.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.888 -0.596 . . . . 73.4 111.048 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -47.99 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.1 110.956 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.96 53.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 73.4 111.309 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -59.71 -33.03 71.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -74.09 -38.18 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 72.1 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -65.61 -40.1 92.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 74.4 110.936 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.3 mt -71.18 -35.78 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.081 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -68.92 -42.96 76.1 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.161 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.15 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.4 111.38 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -70.43 -34.96 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 74.1 110.994 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.56 -37.36 85.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.959 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.63 -38.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.4 111.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.88 -35.75 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.4 111.039 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' CE1' HG12 ' A' ' 13' ' ' VAL . 25.4 m-85 -70.85 -36.42 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 72.4 111.007 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mt -70.77 -29.68 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.2 111.071 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.61 -32.74 66.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 73.3 110.957 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -32.02 60.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 70.1 110.983 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.92 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 70.3 111.183 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -70.88 -45.56 64.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 74.2 111.018 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -62.78 -30.42 71.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.409 . . . . 65.1 111.058 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.3 mt -66.26 -49.99 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 72.5 110.914 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -30.52 69.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.1 111.369 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.4 -50.52 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 72.3 110.983 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.6 -32.73 71.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.072 -0.513 . . . . 73.0 111.399 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -68.12 -47.73 67.34 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.009 0.433 . . . . 73.4 110.868 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -50.76 69.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 72.1 110.804 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 tttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.278 -0.867 . . . . 73.4 110.898 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.817 0.341 . . . . 63.5 111.166 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -72.55 126.09 29.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.467 . . . . 71.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.5 p -70.62 133.46 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.926 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.8 p -92.72 -176.64 4.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 62.4 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -74.33 -31.85 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 60.3 110.874 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.94 -41.49 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -31.14 71.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.2 111.01 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -70.98 -37.1 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.984 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.41 76.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 61.3 111.183 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.27 -30.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 70.1 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -31.11 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.3 110.977 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.93 -37.77 69.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.04 -29.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 72.4 111.187 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.75 -41.4 71.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 65.4 110.957 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -29.95 63.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.93 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.04 -48.59 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 43.4 111.21 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 t -59.36 -46.37 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.015 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.97 -34.03 77.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 64.5 110.898 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -45.55 77.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.9 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.52 -30.07 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 73.1 111.072 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -27.44 60.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 64.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.08 27.29 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 65.1 111.32 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 57.18 56.11 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 73.5 111.006 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -123.97 46.14 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 65.4 110.879 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.44 -30.0 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.5 111.096 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.35 -52.22 29.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -35.36 78.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.82 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.2 111.225 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.03 -41.9 98.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.911 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -77.97 -33.33 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.964 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.61 -37.87 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.4 111.007 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.6 m-85 -73.01 -41.11 64.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.1 111.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.82 -30.31 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.999 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.2 -39.5 75.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.3 111.267 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.97 -37.54 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.84 -37.36 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.029 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -67.09 -33.99 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.041 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -72.13 -38.59 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.015 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.08 -39.27 82.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -71.71 -30.89 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.98 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 62.2 111.01 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -66.99 -46.2 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 63.2 111.103 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -53.1 61.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.956 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -75.29 -63.9 1.18 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.107 -0.497 . . . . 73.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.22 95.13 8.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 71.1 111.056 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.43 151.26 19.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.818 0.342 . . . . 61.3 111.215 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.87 -168.07 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 70.5 110.661 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 167.51 4.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.412 -0.358 . . . . 74.3 111.303 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.89 -38.36 72.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.97 0.414 . . . . 62.1 110.999 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -48.97 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.994 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.06 -34.65 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 75.0 111.269 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -48.85 51.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.046 -0.525 . . . . 61.2 111.068 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -37.12 85.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 73.4 110.851 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -60.21 -43.77 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 74.2 111.009 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.26 -40.7 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 73.2 111.004 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -59.85 -48.16 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 72.2 111.035 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.79 71.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.275 -0.42 . . . . 73.4 111.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -70.21 -35.83 74.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 52.1 110.988 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.38 -36.72 85.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.044 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -64.95 -43.61 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.198 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -74.45 -31.15 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.3 111.093 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.95 -35.99 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 75.4 111.048 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.74 -30.52 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 74.5 111.097 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.03 -30.01 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.089 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -32.04 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.003 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 61.3 111.243 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.39 -39.99 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 73.3 110.948 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.84 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.3 111.141 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt -69.56 -49.36 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.1 111.002 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -31.94 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.2 111.064 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -29.01 60.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.4 111.294 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -75.21 -49.89 17.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 64.5 111.208 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.59 -44.98 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 64.4 111.291 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -61.7 -40.34 94.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 64.5 111.078 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.8 p -66.46 -52.85 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 64.2 110.834 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 54.3 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.81 0.338 . . . . 72.3 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.7 p -114.3 130.99 56.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.873 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -90.33 130.68 36.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 -176.73 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 53.3 110.855 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -71.13 -36.82 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.847 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.97 -31.99 63.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.3 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -35.22 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -70.79 -34.1 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.926 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.23 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.92 -35.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 55.1 111.079 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.71 -31.48 52.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.917 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG12 ' CE2' ' A' ' 63' ' ' TYR . 27.6 m -80.08 -32.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.1 111.118 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -68.69 -37.75 79.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.47 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.908 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.55 -46.95 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 75.2 111.144 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -44.16 92.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.959 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.6 -39.54 84.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.5 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.52 -39.19 88.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 71.1 110.849 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -55.07 -41.78 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 70.2 111.037 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.06 -18.01 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.1 111.266 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.334 . . . . 65.1 111.373 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 57.52 30.11 18.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 64.1 111.05 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.92 46.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.791 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -53.07 -30.78 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.5 111.082 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.34 -46.68 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.1 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.72 -40.6 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.3 110.924 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.93 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.1 111.074 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.6 -49.09 74.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.948 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.42 -36.91 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 75.4 110.985 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.9 -43.48 45.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -61.35 -40.44 94.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.945 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.55 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.2 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.32 -34.48 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.4 111.051 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.35 -35.91 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 63.2 111.004 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -72.5 -30.85 64.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.971 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.15 -49.43 56.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.3 110.923 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.99 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 63.4 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -66.29 -30.17 70.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.86 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 60.3 111.053 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -69.36 -34.02 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.341 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -48.22 23.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.016 -0.538 . . . . 63.3 110.969 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -85.67 -64.07 1.22 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 70.1 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.89 57.92 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.108 0.48 . . . . 70.1 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 144.7 56.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.093 -0.503 . . . . 73.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.92 -165.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.462 -0.335 . . . . 74.5 110.755 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 173.43 1.36 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.373 -0.376 . . . . 74.5 110.768 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -31.24 69.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 50.4 111.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.77 -46.14 89.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 74.3 111.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.54 61.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 73.5 111.043 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -59.21 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 75.4 110.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.8 -36.75 80.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.017 -0.538 . . . . 71.1 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -64.32 -48.24 76.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.2 111.193 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mt -67.55 -42.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 74.2 111.201 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -59.93 -36.14 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.943 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.48 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 55.2 111.126 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -75.0 -44.91 45.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.1 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.79 -41.08 96.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 61.5 111.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 p -66.82 -36.07 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 73.3 111.237 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -41.43 76.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.855 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 13' ' ' VAL . 27.7 m-85 -70.99 -36.63 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 64.1 111.002 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.96 -43.31 95.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 64.1 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.74 -38.41 83.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 64.1 110.97 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -36.5 79.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.938 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.85 82.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.17 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.12 -32.17 70.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -67.06 -39.05 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.462 . . . . 74.4 110.945 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.57 -39.56 80.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.951 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.58 -33.13 70.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.188 -0.46 . . . . 61.3 111.271 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.1 -50.31 66.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.943 -0.572 . . . . 74.1 110.96 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 pp -71.75 -32.72 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.56 . . . . 73.4 111.027 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.19 -43.94 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.911 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -42.73 82.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 71.4 110.857 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.195 -0.907 . . . . 62.5 110.993 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.872 0.367 . . . . 51.5 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -34.48 64.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 71.299999999999997 110.901 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -37.29 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.722 ' O ' HD23 ' A' ' 12' ' ' LEU . 14.9 mttp -67.8 -30.67 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 63.100000000000001 111.022 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.69 -34.2 73.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 111.193 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -73.05 -34.22 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 55.100000000000001 111.147 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -30.75 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.399999999999999 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.8 mm? -66.8 -36.56 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 72.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.44 -30.75 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 72.299999999999997 111.191 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -71.56 -35.76 70.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 73.400000000000006 110.948 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -30.19 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.002 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -74.84 -45.69 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 75.200000000000003 111.208 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -58.87 -45.04 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 75.5 111.014 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.72 -36.38 80.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 73.5 110.844 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 71.099999999999994 110.958 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD2' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -53.97 -38.46 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.976 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.03 -19.92 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.7 27.49 3.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.513 -0.312 . . . . 65.099999999999994 111.4 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tttt 57.38 31.12 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 64.099999999999994 111.064 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -109.04 46.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 75.200000000000003 110.811 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.93 -34.69 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 64.400000000000006 111.101 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.46 -48.08 76.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 70.099999999999994 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -40.32 91.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.299999999999997 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.02 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.099999999999994 111.169 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 71' ' ' LYS . 6.6 tp -64.61 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.399999999999999 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -78.67 -32.6 47.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.034 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.827 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.6 mm? -71.0 -49.79 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.400000000000006 110.958 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m-85 -64.91 -39.66 93.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.964 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.96 -40.29 91.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.026 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.07 -42.47 94.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.099999999999994 111.011 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.771 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.77 -41.12 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 111.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.684 HG11 ' HG ' ' A' ' 64' ' ' LEU . 24.7 t -63.54 -31.12 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 111.245 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -38.33 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.100000000000001 111.058 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.05 -32.27 64.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.200000000000003 111.023 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.0 m-85 -66.32 -53.93 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 70.0 111.047 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.69 -46.07 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.399999999999999 111.064 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.87 -34.31 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.299999999999997 111.063 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.79 72.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 60.299999999999997 111.147 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.513 HD11 HG22 ' A' ' 56' ' ' ILE . 20.9 mt -77.91 -44.67 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 74.400000000000006 111.332 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -52.61 64.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.119 -0.492 . . . . 63.299999999999997 111.034 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.08 -64.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.852 0.358 . . . . 64.299999999999997 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -87.44 82.51 7.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.035 -0.529 . . . . 70.099999999999994 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.19 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.48 -0.327 . . . . 60.200000000000003 110.978 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -108.1 -165.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 74.5 110.842 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.71 174.29 1.07 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.318 -0.401 . . . . 74.400000000000006 111.169 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.371 -0.377 . . . . 50.399999999999999 111.035 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.02 -45.27 93.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 74.099999999999994 111.115 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.93 -42.06 61.15 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.087 -0.506 . . . . 63.200000000000003 111.277 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -47.44 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 75.400000000000006 110.957 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.59 -37.08 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 71.099999999999994 110.988 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -63.18 -47.48 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.532 . . . . 72.200000000000003 111.063 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG22 HD11 ' A' ' 43' ' ' ILE . 6.4 mt -71.3 -42.02 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 74.200000000000003 110.949 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.726 0.298 . . . . 72.299999999999997 111.134 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.54 -28.15 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 55.200000000000003 111.021 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.98 -46.3 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.099999999999994 111.173 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.51 -41.75 96.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 61.5 111.274 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 73.299999999999997 111.242 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -39.44 73.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.099999999999994 110.993 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -71.01 -36.11 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 64.099999999999994 111.046 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HG ' HG11 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -61.91 -36.12 80.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.099999999999994 111.04 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 62.100000000000001 111.027 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 65.200000000000003 111.056 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -58.66 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.26 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.6 -32.04 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 71.099999999999994 110.911 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.44 -33.5 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 53.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.441 HD22 ' OD2' ' A' ' 20' ' ' ASP . 69.6 mt -64.87 -36.77 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 73.299999999999997 111.037 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.1 tttt -66.82 -46.88 73.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 73.200000000000003 111.066 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -29.21 70.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 53.399999999999999 110.963 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -72.2 -49.56 34.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 111.111 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -72.46 -34.33 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.326 -0.397 . . . . 73.400000000000006 111.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' N ' HD12 ' A' ' 74' ' ' LEU . 1.5 mtt-85 -65.39 -46.33 80.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.107 -0.497 . . . . 53.5 111.058 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.022 -0.535 . . . . 50.299999999999997 111.046 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 73.400000000000006 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -49.32 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 65.099999999999994 110.948 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.34 -33.19 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 61.299999999999997 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.8 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 mttt -69.29 -39.17 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 74.200000000000003 110.944 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -68.52 -36.87 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 54.299999999999997 111.251 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.81 -31.41 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -30.44 39.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 75.200000000000003 110.971 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.836 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.6 mm? -70.27 -45.28 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 65.5 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' A' ' 35' ' ' ALA . 17.1 m -65.14 -28.83 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 61.299999999999997 111.326 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -75.22 -33.89 61.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 111.004 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.8 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.099999999999994 110.975 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.49 -46.95 29.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 63.0 111.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -57.91 -46.74 84.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 72.0 111.034 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.28 -42.67 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.100000000000001 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.24 -42.22 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 60.299999999999997 110.837 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.89 -33.19 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.400000000000006 110.974 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.27 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 44.299999999999997 111.025 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 25.96 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 71.099999999999994 111.474 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 38.69 29.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.376 -0.375 . . . . 64.5 111.095 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -107.97 46.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 50.5 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -52.17 -30.34 26.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 74.400000000000006 111.096 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 54.100000000000001 110.923 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.05 -38.86 66.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 73.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.49 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.100000000000001 111.206 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -49.83 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 73.099999999999994 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -67.79 -36.0 79.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.200000000000003 110.953 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 71.400000000000006 111.048 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.562 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -74.33 -54.11 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 73.099999999999994 110.928 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.61 -30.82 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 73.0 111.027 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 72.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -70.98 -30.22 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 61.100000000000001 111.226 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.784 HG11 ' HG ' ' A' ' 64' ' ' LEU . 25.3 t -76.45 -31.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 74.200000000000003 111.12 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.33 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.088 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -73.0 -40.43 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.063 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.2 m-85 -63.19 -44.15 96.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 71.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.62 -42.93 98.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 60.299999999999997 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.93 -30.72 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.941 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.17 81.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 71.5 111.066 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 56' ' ' ILE . 14.7 mt -72.87 -44.22 58.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.056 -0.52 . . . . 61.399999999999999 111.063 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -52.8 63.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.88 0.372 . . . . 53.200000000000003 111.083 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -76.36 -64.23 1.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.894 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.35 89.84 6.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.579 . . . . 72.5 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.77 124.53 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 50.399999999999999 111.273 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 m-70 -106.41 -169.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 70.299999999999997 110.95 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -63.34 171.73 2.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 55.399999999999999 110.764 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.89 -36.22 76.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.317 -0.401 . . . . 73.400000000000006 110.817 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.33 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 73.299999999999997 111.06 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -34.35 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 54.299999999999997 111.242 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -69.44 -33.6 73.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 74.400000000000006 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.0 -42.22 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.100000000000001 110.916 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -44.59 93.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 72.099999999999994 111.152 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 43' ' ' ILE . 7.2 mt -70.53 -35.14 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.562 . . . . 74.099999999999994 111.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 tpt85 -66.21 -41.39 90.21 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 115.944 -0.571 . . . . 72.099999999999994 111.099 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.07 -27.53 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 65.5 111.366 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -67.43 -50.9 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 63.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.0 p -59.35 -35.75 74.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 72.299999999999997 111.132 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 57' ' ' ARG . 35.4 t -64.3 -36.82 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 62.200000000000003 111.29 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -35.94 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 51.100000000000001 111.017 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -71.07 -36.12 72.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 75.400000000000006 111.03 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.784 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.2 mt -64.83 -30.2 71.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.027 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.31 70.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 62.5 111.059 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -41.53 79.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.058 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -60.88 -45.52 94.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 30.100000000000001 111.227 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.84 -32.27 69.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.929 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -29.43 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.923 0.392 . . . . 64.400000000000006 111.254 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.43 -50.02 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.5 111.056 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -65.01 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.299999999999997 111.078 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -29.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 74.400000000000006 111.079 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.85 -49.52 14.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 64.299999999999997 111.157 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 72.400000000000006 111.436 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.39 -43.88 89.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.156 -0.475 . . . . 72.299999999999997 111.041 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 110.577 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 60.100000000000001 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.77 -40.46 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 55.399999999999999 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.99 -33.31 71.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.955 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.3 mtmm -75.35 -30.46 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 111.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.48 -37.76 77.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 41.200000000000003 111.191 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.98 -30.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.400000000000006 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -30.76 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 74.5 111.02 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -76.74 -30.59 56.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.951 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.7 t -74.63 -30.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 74.200000000000003 111.182 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -73.85 -39.89 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.200000000000003 110.992 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -27.54 61.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 111.019 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.82 -42.44 49.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 75.5 111.25 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -66.05 -46.18 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 75.200000000000003 111.017 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -30.05 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 74.299999999999997 110.933 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.9 -45.12 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.200000000000003 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.14 -31.31 61.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 73.099999999999994 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -25.52 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 64.099999999999994 110.955 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.59 27.54 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 63.200000000000003 111.441 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 57.09 32.66 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 74.099999999999994 111.119 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.54 46.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.395 . . . . 64.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -50.57 -44.93 56.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 111.192 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -42.37 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.299999999999997 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -42.77 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 51.200000000000003 110.766 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.0 69.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.299999999999997 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 71' ' ' LYS . 8.9 tp -60.42 -49.27 78.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 71.200000000000003 110.953 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -32.9 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.899 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.7 mm? -71.02 -39.16 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 110.962 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -70.96 -49.05 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 72.099999999999994 110.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.15 -30.35 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.299999999999997 110.986 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.39 -43.86 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 61.399999999999999 110.953 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 61.299999999999997 111.126 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -68.55 -32.67 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 70.0 111.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.53 -34.87 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 71.400000000000006 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -73.03 -33.54 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 44.399999999999999 111.06 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG23 ' A' ' 56' ' ' ILE . 7.8 m-85 -72.15 -42.79 65.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.299999999999997 110.973 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.5 110.987 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -64.78 -38.78 92.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 54.100000000000001 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.08 95.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.099999999999994 111.069 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.8 mt -66.95 -49.07 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.200000000000003 111.148 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -52.99 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 111.011 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.78 -64.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 74.299999999999997 111.127 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -98.38 90.54 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 75.200000000000003 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.76 153.27 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 71.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -135.68 -169.2 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 75.400000000000006 110.81 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.48 169.45 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 75.099999999999994 110.472 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.121 -0.491 . . . . 45.200000000000003 110.931 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.73 -50.25 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.257 -0.429 . . . . 73.200000000000003 110.95 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.14 -35.01 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.746 -0.661 . . . . 73.5 111.207 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -67.88 -36.56 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 62.5 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -37.1 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.84 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -64.36 -45.08 89.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 61.399999999999999 111.056 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 15.2 mt -70.7 -41.09 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 71.400000000000006 111.394 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.9 tpt85 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 73.099999999999994 111.122 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.74 -29.91 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 61.299999999999997 111.068 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 30.8 mttt -70.81 -36.93 73.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 63.5 110.984 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.82 -34.96 79.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -63.87 -46.94 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.200000000000003 111.307 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -30.91 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.299999999999997 111.041 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 8.7 m-85 -70.98 -35.9 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 72.200000000000003 111.023 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.49 -30.91 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 54.100000000000001 111.074 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -29.4 60.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 72.299999999999997 111.046 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -32.37 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 75.200000000000003 111.014 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.21 -34.88 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 62.299999999999997 111.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.01 -37.61 83.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.24 -0.436 . . . . 61.399999999999999 110.866 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -72.85 -29.92 63.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.957 0.408 . . . . 73.400000000000006 111.414 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.58 -48.83 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 65.400000000000006 111.104 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 29' ' ' LEU . 36.3 tttt -63.58 -45.86 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 75.099999999999994 111.036 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -28.91 69.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.97 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.26 -50.39 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 64.400000000000006 111.386 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -70.14 -36.23 74.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.301 -0.409 . . . . 74.400000000000006 111.601 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.2 mtt180 -67.31 -48.96 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 74.299999999999997 110.799 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 74.400000000000006 110.552 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.832 0.349 . . . . 73.099999999999994 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.32 -38.92 78.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 110.954 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -69.53 -40.31 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 65.099999999999994 110.873 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.638 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -66.46 -30.42 70.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 72.200000000000003 110.962 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.26 -42.17 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 63.100000000000001 111.213 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.32 -30.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 111.163 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -30.11 67.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.98 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 31' ' ' LEU . 3.8 mm? -76.0 -30.75 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 70.299999999999997 111.025 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' ALA . 27.6 t -74.17 -30.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 111.183 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -71.67 -37.72 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 60.100000000000001 111.0 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -73.04 -29.93 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 64.099999999999994 110.965 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.67 -47.48 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 111.217 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -58.8 -46.57 87.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 75.099999999999994 110.999 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.47 -37.35 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 65.299999999999997 110.927 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.57 -47.76 80.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -28.27 42.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 111.165 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -72.95 -29.57 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 73.5 110.984 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.84 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.299999999999997 111.285 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 56.41 58.06 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.025 0.441 . . . . 74.299999999999997 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.31 46.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 51.100000000000001 110.85 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -52.54 -30.7 31.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 111.067 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.26 -51.91 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 75.5 110.866 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.6 tp10 -67.26 -40.73 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.400000000000006 110.901 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.91 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.299999999999997 111.123 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HE ' ' A' ' 30' ' ' ARG . 6.1 tp -60.82 -43.39 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.299999999999997 110.921 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HE ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -78.65 -31.53 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.928 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.6 mm? -71.02 -38.23 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 63.399999999999999 110.952 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -75.6 -45.42 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 111.003 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.78 -29.77 67.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 54.0 110.998 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.07 -47.27 59.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 74.200000000000003 110.974 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.21 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.299999999999997 111.252 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.3 t -69.58 -36.73 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 72.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.04 -31.35 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.200000000000003 111.042 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -73.08 -35.05 66.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 65.099999999999994 111.045 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.2 m-85 -70.94 -47.93 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.400000000000006 111.073 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.93 -43.85 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 73.299999999999997 110.988 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.29 -30.42 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 111.039 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.2 91.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.244 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.649 HD11 HG22 ' A' ' 56' ' ' ILE . 4.7 mt -73.01 -46.17 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.911 -0.586 . . . . 74.299999999999997 111.484 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -60.02 -39.1 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.200000000000003 111.079 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -91.02 -63.95 1.2 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 111.55 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -97.31 91.85 5.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 75.400000000000006 110.972 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.37 173.03 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 75.200000000000003 111.074 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -158.79 -169.26 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.0 110.856 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -63.1 170.12 3.01 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.107 0.479 . . . . 73.200000000000003 110.451 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -39.75 82.32 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.56 -0.745 . . . . 74.299999999999997 111.023 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -58.96 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 111.123 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -29.94 61.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.995 -0.548 . . . . 71.099999999999994 111.071 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -74.14 -48.88 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.67 0.272 . . . . 72.0 111.063 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -37.08 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 63.200000000000003 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -59.01 -50.32 74.56 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.156 -0.474 . . . . 71.099999999999994 110.875 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.649 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.02 -36.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.200000000000003 111.166 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.89 -52.1 61.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.382 -0.372 . . . . 75.400000000000006 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 71.299999999999997 111.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -70.21 -36.28 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 71.200000000000003 111.008 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -63.89 -35.98 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 52.100000000000001 111.022 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 -39.64 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.100000000000001 111.291 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -31.89 61.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.299999999999997 110.973 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.91 -35.97 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 65.0 111.031 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.0 mt -71.09 -29.3 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 111.059 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -30.9 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 73.099999999999994 111.014 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -42.61 36.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 72.400000000000006 110.982 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -64.28 -30.07 71.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 61.200000000000003 111.273 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.29 -37.55 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 70.200000000000003 111.065 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.94 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.99 0.424 . . . . 72.200000000000003 111.174 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 67' ' ' ALA . 80.1 mt -67.43 -38.74 85.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.099999999999994 110.958 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.69 -46.08 63.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 53.5 111.014 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -28.82 66.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 63.5 111.136 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -76.48 -49.9 15.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.273 -0.421 . . . . 72.400000000000006 111.158 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -71.68 -32.42 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 52.0 111.275 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.46 -36.4 65.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 75.5 110.87 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 63.5 110.976 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.831 0.348 . . . . 52.200000000000003 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.14 -45.63 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 62.299999999999997 110.932 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.38 -30.93 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 53.299999999999997 111.028 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 mttm -67.75 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.999 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.76 -35.7 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.5 111.216 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.1 mt -71.85 -29.69 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -29.58 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.392 . . . . 43.299999999999997 111.005 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.3 mm? -76.6 -30.45 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 70.400000000000006 110.993 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.0 t -80.03 -29.91 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 63.5 111.181 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.8 m -70.08 -39.36 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 75.299999999999997 110.988 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -72.86 -46.18 54.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 45.100000000000001 111.255 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 t -59.12 -43.52 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 73.299999999999997 111.046 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.98 -38.26 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 72.099999999999994 110.999 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.25 -42.73 88.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 62.200000000000003 111.012 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -53.95 -34.46 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 72.099999999999994 111.023 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -23.22 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 75.200000000000003 111.097 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.17 26.73 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 73.299999999999997 111.42 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.66 36.97 28.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 62.100000000000001 111.028 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.44 46.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.100000000000001 110.769 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -51.55 -34.97 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.03 -40.87 87.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 110.894 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.1 tp10 -72.84 -32.17 65.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.955 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.81 80.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 73.299999999999997 111.176 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.63 -48.25 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.5 110.957 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -70.72 -33.93 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.099999999999994 110.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.9 mm? -71.04 -40.19 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 62.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -69.79 -46.56 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.954 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.3 -31.44 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.5 111.033 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.82 -37.28 76.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.032 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -67.55 -40.21 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 70.299999999999997 111.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -60.02 -42.57 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.200000000000003 111.203 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.05 -47.96 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 63.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -61.16 -39.46 90.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.02 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 3.5 m-85 -60.85 -53.02 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 71.299999999999997 110.965 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 43' ' ' ILE . 2.0 mp -59.62 -45.96 90.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 51.299999999999997 110.973 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -60.67 -30.54 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 73.099999999999994 110.988 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.03 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.208 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 56' ' ' ILE . 7.9 mt -78.05 -47.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 74.5 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -53.05 62.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.365 -0.38 . . . . 75.5 110.977 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -73.62 -64.32 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.007 0.432 . . . . 52.299999999999997 111.211 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.64 82.41 3.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 72.099999999999994 110.938 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.94 123.57 30.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.121 -0.491 . . . . 75.5 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -106.3 -165.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 110.87 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.69 171.51 2.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.335 -0.393 . . . . 70.400000000000006 111.302 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -34.03 71.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.707 0.289 . . . . 73.099999999999994 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.5 86.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 75.299999999999997 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -32.28 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 111.212 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -67.66 -47.49 69.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 65.5 110.934 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.97 -38.55 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 60.299999999999997 110.841 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -60.27 -48.8 80.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.352 -0.386 . . . . 55.100000000000001 110.894 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 10.1 mt -71.19 -39.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.099999999999994 111.154 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.7 tpt85 -60.23 -37.18 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 73.400000000000006 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.01 -28.05 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.399999999999999 111.163 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -68.51 -51.08 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.299999999999997 111.163 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.59 -40.37 83.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 75.400000000000006 111.188 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 57' ' ' ARG . 38.3 t -61.69 -36.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 54.200000000000003 111.139 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -36.3 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 63.399999999999999 111.076 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -70.98 -36.29 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.021 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.56 -39.5 93.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.987 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.5 -48.08 76.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 54.399999999999999 111.105 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -60.85 -46.63 89.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 111.083 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -57.67 -28.85 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 111.261 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.56 -39.14 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.397 . . . . 62.100000000000001 111.179 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -33.35 74.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.224 0.535 . . . . 72.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 67' ' ' ALA . 73.2 mt -64.1 -39.47 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 65.200000000000003 111.06 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -66.97 -47.77 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.028 0.442 . . . . 74.200000000000003 110.966 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -29.04 70.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.266 -0.424 . . . . 70.099999999999994 111.374 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.94 -50.05 32.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 111.166 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -74.53 -38.74 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.143 0.497 . . . . 70.5 111.241 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.5 mtp180 -60.92 -53.14 60.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 73.200000000000003 110.847 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 74.299999999999997 111.047 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.738 0.304 . . . . 74.400000000000006 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -34.61 63.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.400000000000006 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -70.05 -31.09 68.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 63.399999999999999 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 12' ' ' LEU . 13.0 mtmm -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 71.400000000000006 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.39 -32.09 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 63.200000000000003 111.202 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.4 mt -73.05 -30.29 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 55.100000000000001 111.158 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.200000000000003 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.1 mm? -73.03 -30.68 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 74.299999999999997 111.036 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.7 t -74.14 -30.66 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 50.399999999999999 111.182 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -72.24 -40.35 67.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -27.83 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.5 111.048 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.688 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -71.91 -49.59 36.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 60.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.66 -46.96 86.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 111.146 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.24 -29.91 70.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 63.299999999999997 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.57 -39.48 58.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 75.5 111.03 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -48.03 70.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 63.100000000000001 111.011 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -16.3 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 74.299999999999997 111.362 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.12 24.52 4.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 52.0 111.495 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 56.41 38.17 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 71.400000000000006 111.091 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.74 46.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.200000000000003 110.801 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -52.87 -38.14 61.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 111.18 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -52.33 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.06 -39.99 94.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.98 69.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 61.100000000000001 111.177 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD21 ' HE3' ' A' ' 71' ' ' LYS . 4.9 tp -63.02 -45.89 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.400000000000006 111.052 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -77.75 -30.8 51.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.964 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.8 mm? -69.82 -43.47 71.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 72.299999999999997 110.978 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -69.19 -46.76 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.968 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.62 -31.03 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 62.200000000000003 111.035 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.79 -45.78 60.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 73.400000000000006 111.075 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.61 -33.61 70.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 74.400000000000006 111.202 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.3 t -71.18 -32.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 73.299999999999997 111.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.97 -33.82 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 54.399999999999999 111.038 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.96 -31.32 64.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 71.099999999999994 111.009 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.9 m-85 -72.51 -46.7 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 111.031 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.57 -41.77 90.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 53.200000000000003 111.073 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.8 t60 -68.31 -34.26 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 61.299999999999997 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.87 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 56' ' ' ILE . 5.1 mt -73.51 -46.38 48.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.118 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -45.11 92.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 62.5 111.023 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 8.8 m-85 -81.92 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 72.299999999999997 111.386 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -98.3 93.58 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 73.5 110.974 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.82 107.63 18.76 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.888 0.375 . . . . 34.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 51.6 m-70 -83.65 -174.66 5.41 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.857 -0.611 . . . . 71.0 110.745 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -63.19 173.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.636 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -42.2 79.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 72.200000000000003 111.079 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.77 -49.4 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 43.100000000000001 110.771 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.09 -34.58 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.672 -0.24 . . . . 63.399999999999999 111.03 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -71.56 -35.27 70.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.822 0.344 . . . . 70.400000000000006 110.905 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -74.08 -37.07 64.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 71.299999999999997 110.828 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 72.299999999999997 111.024 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.32 -39.7 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.065 -0.516 . . . . 54.200000000000003 110.993 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -59.4 -45.03 92.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 74.200000000000003 110.918 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.58 -29.82 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 72.099999999999994 111.008 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -69.37 -38.88 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.991 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.7 m -65.42 -32.94 74.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 63.200000000000003 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.3 t -65.44 -42.57 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.299999999999997 111.284 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.299999999999997 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.474 ' HB3' HG22 ' A' ' 36' ' ' VAL . 12.9 m-85 -71.11 -36.01 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 111.018 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -73.46 -29.82 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.400000000000006 111.151 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.15 -30.93 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 61.399999999999999 111.061 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -32.16 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.299999999999997 111.002 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -66.73 -29.98 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.249 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -32.05 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 65.200000000000003 110.976 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -73.44 -30.17 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.155 -0.475 . . . . 71.299999999999997 111.002 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.2 mt -70.17 -35.94 74.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 72.400000000000006 111.021 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' HD21 ' A' ' 29' ' ' LEU . 8.2 tttt -73.31 -47.17 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 72.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -28.93 66.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 63.299999999999997 110.958 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -76.3 -50.34 14.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 72.400000000000006 111.084 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -70.29 -36.96 74.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 74.299999999999997 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.9 ttt180 -72.68 -31.15 64.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.281 -0.418 . . . . 55.5 110.889 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.94 0.4 . . . . 63.5 110.898 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.332 . . . . 73.299999999999997 110.948 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.5 -44.37 67.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.400000000000006 110.914 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -64.08 -37.36 87.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 55.200000000000003 110.98 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HD23 ' A' ' 12' ' ' LEU . 21.7 mttt -65.49 -43.31 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 54.200000000000003 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.91 -38.85 87.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 75.299999999999997 111.138 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.6 mt -68.21 -29.52 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 73.5 111.205 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.62 -35.25 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 64.299999999999997 111.001 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -69.0 -30.44 68.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 73.0 111.019 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.5 t -77.26 -29.64 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 74.099999999999994 111.23 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -69.38 -42.78 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 111.116 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 53.299999999999997 111.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -44.3 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.299999999999997 111.411 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 51.399999999999999 111.12 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.84 -30.74 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 74.200000000000003 110.95 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -38.53 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.399999999999999 111.013 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -48.09 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.5 111.04 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.01 -15.63 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 63.299999999999997 111.345 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.39 26.72 3.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.744 0.307 . . . . 73.299999999999997 111.464 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 56.44 29.88 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 70.5 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -110.9 46.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -51.86 -43.77 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.400000000000006 111.164 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.11 -45.65 90.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.099999999999994 110.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -39.19 79.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.400000000000006 110.88 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.62 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.183 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.25 -39.96 93.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.200000000000003 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.42 -38.27 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 12' ' ' LEU . 4.2 mm? -71.14 -32.58 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 62.200000000000003 110.9 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 m-85 -72.2 -42.43 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.95 -30.41 70.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 52.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -69.46 -37.58 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.299999999999997 110.971 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -69.09 -30.33 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 53.100000000000001 111.137 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.7 t -73.33 -33.12 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 75.299999999999997 111.145 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.95 -33.07 71.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 111.029 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.95 -36.66 67.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 62.5 110.98 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.4 m-85 -66.61 -44.28 82.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 70.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.82 -46.07 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.200000000000003 111.08 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -66.76 -30.9 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.02 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.7 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 72.400000000000006 110.98 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.847 HD11 ' CG2' ' A' ' 56' ' ' ILE . 7.5 mt -77.92 -39.1 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.983 0.421 . . . . 74.099999999999994 111.301 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -53.05 60.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 74.200000000000003 110.953 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 41.9 m-85 -82.69 -64.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.463 -0.335 . . . . 72.099999999999994 110.867 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -85.19 78.71 9.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.144 0.497 . . . . 73.299999999999997 110.796 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 128.74 34.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 75.099999999999994 111.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -114.82 -167.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.400000000000006 110.835 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -62.65 172.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 74.200000000000003 111.111 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.54 -0.3 . . . . 73.5 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.08 87.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 64.400000000000006 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.7 -43.62 58.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.032 0.444 . . . . 51.0 111.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 74.299999999999997 110.958 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.95 -38.42 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 61.299999999999997 111.083 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.82 -44.57 93.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 61.100000000000001 111.155 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.847 ' CG2' HD11 ' A' ' 43' ' ' ILE . 14.1 mt -70.76 -42.99 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.164 0.507 . . . . 65.299999999999997 111.371 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -59.74 -36.08 75.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.838 -0.619 . . . . 71.099999999999994 110.961 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.14 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.975 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -35.0 62.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 72.200000000000003 111.035 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -58.67 -51.02 71.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 74.099999999999994 111.089 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 111.278 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -42.05 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 71.400000000000006 111.069 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.19 -36.29 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.991 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 36' ' ' VAL . 10.1 mt -67.29 -37.57 83.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 62.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.03 -44.91 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 73.400000000000006 111.064 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.88 -44.91 96.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 111.031 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 50.399999999999999 111.279 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.46 -32.0 69.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.200000000000003 111.021 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -72.78 -32.27 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 51.100000000000001 110.975 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 67' ' ' ALA . 45.7 mt -66.88 -46.09 76.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 61.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.69 -48.32 82.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 63.200000000000003 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -30.23 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.099999999999994 111.21 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -69.03 -50.08 51.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 74.099999999999994 111.026 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.32 -31.29 63.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.176 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -66.49 -44.31 82.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 75.099999999999994 111.058 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 74.099999999999994 110.673 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.777 0.323 . . . . 73.200000000000003 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.71 -43.87 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.3 tm0? -63.86 -31.38 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 64.400000000000006 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -71.27 -34.3 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.941 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 52.200000000000003 111.173 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 7' ' ' GLN . 14.5 mt -72.06 -30.62 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 111.143 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -31.49 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.0 mm? -74.08 -31.15 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 55.100000000000001 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 9' ' ' ALA . 28.5 t -74.99 -30.23 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -74.17 -40.89 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 53.100000000000001 110.909 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.56 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.400000000000006 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.74 -49.14 41.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 111.135 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.3 t -59.38 -47.8 84.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 110.994 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 17' ' ' THR . 18.3 pt-20 -62.83 -40.56 97.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 64.299999999999997 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.91 97.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -30.45 49.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 72.099999999999994 111.055 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -75.01 -25.74 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.099999999999994 110.985 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 28.36 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 73.200000000000003 111.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 58.53 56.22 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 63.5 110.9 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -123.95 46.03 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 65.299999999999997 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -54.02 -36.92 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 111.112 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -39.95 79.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.958 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -40.48 65.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 73.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.62 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 62.399999999999999 111.259 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 71' ' ' LYS . 49.2 tp -61.46 -50.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.5 110.966 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -72.34 -31.07 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 70.299999999999997 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.551 HD13 HD12 ' A' ' 12' ' ' LEU . 2.7 mm? -70.98 -47.54 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.941 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -65.88 -41.52 91.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 111.004 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.47 -30.98 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 110.98 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -48.34 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 61.200000000000003 110.968 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.59 -29.88 66.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 63.200000000000003 111.292 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -74.2 -34.06 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 53.299999999999997 111.183 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.05 -34.67 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.099999999999994 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.63 -34.2 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 71.200000000000003 111.023 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -69.39 -44.11 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 61.5 111.019 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.37 -43.17 99.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 73.299999999999997 111.012 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.93 -30.75 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 74.400000000000006 111.099 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.7 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.299999999999997 111.224 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.61 -48.12 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 50.200000000000003 111.469 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -58.69 -50.25 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.16 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 72.0 111.344 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -98.83 91.28 5.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.353 . . . . 74.299999999999997 110.99 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 148.4 22.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 53.399999999999999 111.019 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -127.96 -168.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 70.299999999999997 110.76 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -62.73 168.3 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 44.200000000000003 110.95 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.78 69.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 70.200000000000003 111.193 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -64.78 -49.69 69.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.995 -0.548 . . . . 72.099999999999994 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.64 -30.89 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 71.299999999999997 111.194 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -72.13 -34.59 68.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.368 -0.378 . . . . 73.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.31 -41.77 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.200000000000003 111.001 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -44.62 95.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.848 0.356 . . . . 71.299999999999997 110.966 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.631 HG22 HD11 ' A' ' 43' ' ' ILE . 14.4 mt -71.12 -46.5 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 74.099999999999994 111.029 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpt85 -58.73 -47.29 85.11 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.07 -0.513 . . . . 75.5 111.031 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -30.0 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 53.100000000000001 111.048 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.17 -35.4 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 74.0 111.029 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.6 -35.62 81.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 111.056 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.21 -50.02 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 54.0 111.265 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -30.0 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.200000000000003 111.117 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.64 -35.97 75.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 75.400000000000006 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.38 -29.85 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 62.399999999999999 111.113 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -33.88 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 61.399999999999999 111.057 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -76.52 -32.04 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 72.099999999999994 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.66 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.400000000000006 111.2 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -46.92 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.883 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -60.98 -29.25 69.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 75.0 111.245 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.98 -49.97 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.299999999999997 111.143 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 ptpt -66.21 -31.4 72.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.126 0.489 . . . . 74.200000000000003 111.03 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.73 -29.07 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.868 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.73 -47.63 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.383 -0.371 . . . . 61.299999999999997 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 71' ' ' LYS . 2.8 pp -71.01 -41.85 70.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.235 -0.438 . . . . 54.399999999999999 111.158 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.7 mtp-105 -60.2 -53.59 55.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 74.099999999999994 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.317 0 CA-C-N 116.223 -0.444 . . . . 65.200000000000003 110.976 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.748 0.308 . . . . 64.299999999999997 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.89 -44.64 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 70.200000000000003 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.88 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.8 mm100 -67.46 -30.8 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 74.299999999999997 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 12' ' ' LEU . 12.3 mmtt -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -63.74 -34.89 78.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 111.222 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.88 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.2 mt -67.28 -29.56 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 54.299999999999997 111.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 74.200000000000003 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -76.62 -35.05 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 70.5 111.062 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.8 t -70.71 -30.53 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.099999999999994 111.164 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 -39.13 54.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.299999999999997 111.041 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -72.92 -29.65 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -75.96 -46.05 31.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 111.239 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -58.46 -43.53 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 52.399999999999999 111.069 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.12 -30.85 70.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.299999999999997 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.5 -42.21 65.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.299999999999997 111.111 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.95 -38.85 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -74.93 -22.04 58.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 111.035 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.63 25.29 4.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.48 -0.327 . . . . 75.099999999999994 111.475 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 56.66 40.89 29.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 73.099999999999994 111.033 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -115.23 46.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.099999999999994 110.881 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -52.63 -30.86 33.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -47.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 64.400000000000006 110.898 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -37.86 72.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 63.5 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -32.05 68.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 111.142 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.38 -44.71 78.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.52 -32.68 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.4 mm? -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.200000000000003 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.0 m-85 -67.23 -40.78 86.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 62.299999999999997 110.967 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -59.34 -31.37 69.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 72.5 111.027 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.83 -41.98 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 72.299999999999997 111.046 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.71 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 72.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -64.18 -49.47 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 72.099999999999994 111.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.71 -30.75 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 73.400000000000006 111.005 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.1 m-85 -74.07 -42.92 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.099999999999994 110.987 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.45 -46.13 91.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 74.299999999999997 111.014 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.6 t60 -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.5 111.011 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -35.62 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 61.399999999999999 111.084 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.742 HD11 ' CG2' ' A' ' 56' ' ' ILE . 9.9 mt -77.97 -44.77 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 64.200000000000003 111.225 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -52.91 63.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.859 -0.61 . . . . 73.400000000000006 111.113 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 11.3 m-85 -76.54 -64.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.200000000000003 110.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.83 79.91 5.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 73.200000000000003 110.933 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.0 122.57 28.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.245 -0.434 . . . . 75.400000000000006 110.957 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -105.23 -166.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 74.400000000000006 110.755 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.62 172.06 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 42.100000000000001 111.031 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -31.49 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 64.299999999999997 111.058 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -63.08 -45.21 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.977 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.9 -44.05 56.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 63.200000000000003 111.094 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -59.24 -48.79 80.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.400000000000006 111.054 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.71 -40.17 91.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 72.200000000000003 111.0 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -60.02 -46.79 88.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 32.299999999999997 111.1 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' A' ' 43' ' ' ILE . 10.8 mt -70.95 -46.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.398 -0.365 . . . . 74.200000000000003 111.195 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.4 tpt85 -59.66 -37.35 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.200000000000003 111.007 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.85 -30.75 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.0 111.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -40.02 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 61.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.97 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.7 t -65.66 -49.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.400000000000006 111.257 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.7 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 63.5 111.147 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -70.05 -36.13 74.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 73.400000000000006 110.95 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.91 -31.03 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 62.5 110.907 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.02 -31.09 61.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 73.099999999999994 110.972 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -46.73 39.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.5 111.011 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.75 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 72.200000000000003 111.255 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.51 -32.37 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 71.299999999999997 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.48 62.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.92 0.39 . . . . 64.5 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.2 -50.05 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 52.200000000000003 111.033 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -39.91 94.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 61.399999999999999 111.083 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -29.57 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -71.56 -50.21 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 63.399999999999999 110.86 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.5 pp -71.74 -39.63 69.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 111.12 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.2 mtt85 -62.15 -52.13 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 62.299999999999997 111.0 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.405 . . . . 63.299999999999997 110.922 179.685 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 50.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.0 -45.56 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 63.100000000000001 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.3 tp60 -62.42 -30.84 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 111.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.5 mttt -69.6 -41.81 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 74.200000000000003 110.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.41 -33.8 76.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 111.184 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.9 mt -70.32 -29.51 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 111.205 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.4 -30.18 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 62.100000000000001 111.073 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -73.51 -44.77 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 73.400000000000006 110.911 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.19 -28.98 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 53.299999999999997 111.281 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.1 m -73.83 -36.99 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 74.200000000000003 110.957 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.299999999999997 110.95 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.05 -47.61 24.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 71.200000000000003 111.33 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 18' ' ' GLU . 5.9 t -58.95 -48.59 80.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 111.121 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.1 -29.94 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 64.299999999999997 110.937 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.28 -44.48 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 63.299999999999997 111.035 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.9 -33.37 56.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 54.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -75.0 -25.58 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 111.034 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.53 27.08 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 50.399999999999999 111.373 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.2 46.34 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 73.200000000000003 111.051 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -121.69 46.19 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 53.299999999999997 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -51.35 -42.83 61.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 65.400000000000006 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -42.59 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 72.400000000000006 110.85 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.59 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.299999999999997 110.836 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.02 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 111.065 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.53 -53.5 55.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -66.82 -34.77 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.739 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.5 mm? -70.91 -35.68 72.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.400000000000006 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -76.03 -39.92 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 110.967 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.45 -36.37 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 72.299999999999997 110.976 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.34 -45.56 83.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.200000000000003 111.076 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.6 -37.69 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 72.5 111.253 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -65.93 -31.21 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.148 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -70.06 -35.42 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -72.67 -39.67 66.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.039 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -62.85 -50.11 72.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.200000000000003 110.976 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -58.88 -44.39 91.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 75.5 111.003 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -62.55 -30.62 71.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 74.400000000000006 111.057 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.099999999999994 111.231 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 40' ' ' LEU . 11.1 mt -76.76 -51.47 19.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.904 -0.589 . . . . 75.200000000000003 111.122 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -53.3 59.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 65.200000000000003 110.971 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -69.95 -64.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 111.219 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.1 83.03 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 74.200000000000003 111.017 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.06 118.07 22.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 35.200000000000003 111.141 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -100.08 -167.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 64.5 110.773 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -63.11 171.72 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 70.200000000000003 110.715 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.17 -36.18 74.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.947 -0.569 . . . . 52.100000000000001 111.003 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.96 88.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 74.299999999999997 110.853 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.95 -43.43 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.106 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -60.75 -43.04 98.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.14 -40.68 71.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.265 -0.425 . . . . 65.299999999999997 110.949 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -60.02 -44.49 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 71.099999999999994 110.906 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 43' ' ' ILE . 7.6 mt -71.16 -43.3 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 65.299999999999997 111.005 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.7 tpt85 -59.46 -42.03 91.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 63.5 110.967 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.94 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 54.399999999999999 111.147 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 21.6 mtpt -73.84 -34.96 64.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.0 111.066 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.87 -40.22 91.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 111.057 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.3 -37.05 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.265 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.38 -39.09 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 74.299999999999997 110.965 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 30.7 m-85 -71.07 -41.77 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 71.099999999999994 110.987 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD23 HG11 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -60.14 -39.94 88.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 75.299999999999997 111.075 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -34.65 74.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 72.400000000000006 110.999 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 73.099999999999994 111.014 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.22 -30.08 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.23 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -44.08 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.400000000000006 111.153 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -29.79 67.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 73.099999999999994 111.092 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 67' ' ' ALA . 59.3 mt -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.5 111.018 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -68.74 -43.52 75.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 63.100000000000001 111.092 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -29.17 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.909 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -68.65 -50.29 52.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 62.100000000000001 111.134 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.9 -29.99 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 63.399999999999999 111.081 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -54.85 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 63.100000000000001 110.809 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 111.129 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.352 . . . . 74.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.9 mm? -69.99 -41.0 74.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.932 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -44.17 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.5 mttm -62.02 -42.48 99.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 72.299999999999997 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.16 -47.95 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 51.200000000000003 111.203 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.1 mt -64.57 -29.78 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 55.299999999999997 111.175 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.27 -30.63 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.299999999999997 110.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.4 mm? -75.05 -45.73 39.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.965 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -30.27 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 41.100000000000001 111.209 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -69.7 -44.49 70.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 111.063 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -73.0 -27.24 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 111.089 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -74.55 -46.66 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 70.099999999999994 111.296 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.0 t -63.77 -47.26 81.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.979 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.88 -33.02 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 71.400000000000006 110.984 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.44 -46.09 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.200000000000003 110.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.97 -32.02 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 74.200000000000003 111.079 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.03 -25.54 58.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 64.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.51 26.29 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 25.399999999999999 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttp 56.8 55.56 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 64.200000000000003 111.005 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -124.04 46.15 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.52 -30.68 21.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 70.400000000000006 111.239 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.89 -51.42 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.099999999999994 110.821 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.32 70.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.22 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -76.07 -33.91 59.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 111.002 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.07 -32.03 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.099999999999994 110.961 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.748 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.94 -49.5 17.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 71.299999999999997 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -59.45 -36.54 76.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.092 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.13 -36.94 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 111.053 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -66.54 -34.2 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 53.5 111.219 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -71.42 -30.38 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 71.299999999999997 111.193 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.04 -34.8 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.998 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -73.0 -34.12 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 12.7 m-85 -69.64 -44.02 71.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.400000000000006 111.028 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 43' ' ' ILE . 9.9 mt -64.03 -46.1 85.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 74.099999999999994 110.977 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -62.02 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.46 82.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 30.5 111.141 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.3 mt -73.06 -42.26 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.25 -0.432 . . . . 73.099999999999994 111.139 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -43.98 94.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.99 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -90.53 -64.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.99 0.424 . . . . 75.299999999999997 110.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.59 92.82 9.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.733 -0.667 . . . . 72.299999999999997 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.1 134.59 38.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.015 -0.538 . . . . 55.5 111.176 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.6 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.56 -168.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 74.099999999999994 110.841 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -62.91 170.19 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 71.5 111.005 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -38.35 76.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 73.299999999999997 111.06 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.86 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.002 -0.544 . . . . 65.099999999999994 110.924 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -35.16 63.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 70.400000000000006 111.015 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -67.31 -38.84 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 63.299999999999997 111.122 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.44 -39.6 77.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.964 -0.562 . . . . 75.5 110.979 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -59.58 -46.95 87.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 73.099999999999994 110.977 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 9.9 mt -71.31 -34.74 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 64.099999999999994 111.092 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.804 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.2 tpt180 -65.24 -40.91 94.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 74.0 111.065 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.99 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 62.0 111.088 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -66.18 -50.96 62.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 75.200000000000003 111.14 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -60.14 -34.58 73.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 44.200000000000003 111.112 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 57' ' ' ARG . 33.8 t -67.0 -36.06 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 75.400000000000006 111.234 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.05 -36.29 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.299999999999997 111.118 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -70.34 -36.02 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.299999999999997 111.089 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.81 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 62.200000000000003 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -30.59 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 64.099999999999994 111.098 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -79.24 -33.67 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 53.5 111.026 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.6 -28.85 67.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 111.294 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.16 -51.48 37.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 61.200000000000003 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -37.09 74.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.299 0.571 . . . . 64.400000000000006 111.265 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 67' ' ' ALA . 17.8 mt -60.13 -45.25 93.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 73.200000000000003 111.048 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.17 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 55.5 110.932 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -29.03 69.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 73.0 111.081 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.59 -49.23 27.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 111.066 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -72.45 -29.22 63.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.521 -0.309 . . . . 63.399999999999999 111.24 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 74' ' ' LEU . 3.6 mtt180 -73.3 -36.64 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 74.200000000000003 110.98 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 72.0 110.601 -179.829 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.331 . . . . 65.099999999999994 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.72 -33.34 66.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.7 tp60 -72.53 -31.12 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.938 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -72.71 -38.27 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.46 -35.04 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 52.200000000000003 111.067 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.5 mt -71.91 -30.41 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 62.200000000000003 111.187 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -31.94 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 60.5 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -73.29 -32.61 64.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.400000000000006 110.953 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.1 t -75.67 -30.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 73.400000000000006 111.099 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -70.63 -41.79 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 71.400000000000006 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -73.03 -29.87 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.937 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.47 -48.96 36.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 62.299999999999997 111.244 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.8 t -58.97 -46.79 87.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 71.200000000000003 111.028 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' THR . 11.9 pt-20 -64.82 -37.44 87.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.5 110.975 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.04 -45.53 88.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 61.399999999999999 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -33.01 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 74.299999999999997 111.045 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.66 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 111.009 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 27.56 3.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 74.299999999999997 111.394 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.38 50.36 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 64.099999999999994 110.95 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -120.99 46.1 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 70.099999999999994 110.881 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -53.11 -32.15 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 73.400000000000006 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -50.48 48.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.299999999999997 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -67.74 -39.51 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 72.5 110.836 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.93 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.5 111.098 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.82 -43.41 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -35.85 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 110.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.1 mm? -66.71 -48.27 69.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.200000000000003 110.955 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.702 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.7 m-85 -64.61 -41.51 96.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 70.200000000000003 110.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.988 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -71.37 -39.69 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.099999999999994 111.045 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -62.73 -29.08 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 65.5 111.284 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -74.85 -54.12 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 71.099999999999994 111.299 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.15 -35.89 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -66.12 -31.08 71.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 75.400000000000006 110.955 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -74.05 -43.44 57.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.951 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.76 -43.61 94.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.200000000000003 111.049 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -65.03 -30.26 71.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 71.099999999999994 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.29 -34.54 74.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.219 -0.446 . . . . 61.299999999999997 111.018 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 HG22 ' A' ' 56' ' ' ILE . 20.6 mt -75.88 -47.53 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 33.299999999999997 111.22 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -52.4 65.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.200000000000003 110.959 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.39 -64.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 55.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -95.15 83.88 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 71.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.09 116.19 24.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.919 -0.582 . . . . 73.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -98.85 -167.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 73.200000000000003 110.824 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.28 172.59 1.85 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.085 -0.507 . . . . 54.5 110.945 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.45 -35.03 73.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 74.5 110.786 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -60.66 -49.99 75.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 64.400000000000006 110.981 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.23 -35.41 63.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 71.5 110.943 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -67.0 -37.1 83.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.379 . . . . 71.299999999999997 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -74.08 -36.97 64.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 111.073 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -64.53 -44.87 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 73.200000000000003 111.055 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.566 HG22 HD11 ' A' ' 43' ' ' ILE . 7.0 mt -70.04 -41.65 79.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 121.159 0.504 . . . . 63.5 111.376 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -59.7 -47.49 85.42 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.858 -0.61 . . . . 74.299999999999997 111.105 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.42 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 64.400000000000006 111.074 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -67.71 -35.8 79.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 65.5 110.906 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.54 -35.36 78.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 72.400000000000006 111.067 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.7 -38.05 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 74.099999999999994 111.168 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -41.24 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 111.048 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 22.9 m-85 -66.61 -35.98 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.099999999999994 110.998 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.97 -30.19 68.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 71.400000000000006 111.039 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -30.12 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 72.200000000000003 111.126 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -31.94 53.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 62.299999999999997 111.035 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.24 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 74.400000000000006 111.213 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -41.34 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 75.299999999999997 110.921 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.74 78.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 75.099999999999994 111.073 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.58 -41.94 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.400000000000006 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.0 -46.5 77.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.299999999999997 110.963 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -28.95 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.099999999999994 111.026 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -76.76 -49.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 74.5 111.194 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.64 -30.95 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 75.5 111.34 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -79.16 -46.94 16.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.923 0.392 . . . . 73.200000000000003 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 72.099999999999994 110.836 -179.708 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 71.099999999999994 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.92 -43.99 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 54.299999999999997 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.5 tp60 -66.41 -33.17 75.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.09 -32.22 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.898 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.82 -34.79 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 53.299999999999997 111.187 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.1 mt -72.95 -29.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 111.115 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -30.31 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.299999999999997 111.102 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.4 mm? -72.81 -33.94 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 61.399999999999999 111.072 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 ' HB1' ' A' ' 35' ' ' ALA . 16.3 m -79.98 -30.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 65.200000000000003 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.8 m -72.52 -35.74 68.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.200000000000003 110.951 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.02 62.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.048 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.51 -47.63 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.200000000000003 111.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -58.43 -43.4 88.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 70.5 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.05 -30.58 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 61.299999999999997 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -37.55 62.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.100000000000001 110.94 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.95 -47.99 70.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 61.299999999999997 110.991 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.28 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 64.200000000000003 111.245 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.71 23.61 5.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.561 -0.291 . . . . 72.5 111.435 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.38 45.71 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 53.100000000000001 111.057 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -124.06 46.11 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 65.400000000000006 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.34 -41.62 60.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.66 -37.45 87.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 64.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.12 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.400000000000006 111.236 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 71' ' ' LYS . 63.7 tp -61.72 -51.21 69.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 55.200000000000003 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -32.26 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.7 mm? -71.04 -43.13 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 65.299999999999997 111.008 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.2 m-85 -70.01 -46.18 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 74.099999999999994 111.036 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.22 -33.44 70.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.299999999999997 111.089 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.66 -37.51 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 64.299999999999997 111.07 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -65.39 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 111.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.88 -30.48 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.200000000000003 111.217 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.04 -39.22 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 74.099999999999994 111.025 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.61 -32.53 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 55.299999999999997 111.005 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.06 -44.36 69.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 71.200000000000003 110.975 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -60.03 -35.47 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 63.399999999999999 110.972 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -73.47 -30.75 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.399999999999999 110.926 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.39 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 73.400000000000006 111.119 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.4 mt -76.1 -47.96 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 61.299999999999997 111.069 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -59.68 -52.71 64.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 73.200000000000003 111.045 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -74.54 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 74.200000000000003 111.276 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -94.15 83.17 4.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.65 113.66 24.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.091 -0.504 . . . . 71.400000000000006 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -91.98 -169.31 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -63.32 170.43 3.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.77 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.3 -37.96 76.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.373 -0.376 . . . . 73.299999999999997 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -50.01 75.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 63.5 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.12 -35.97 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 72.299999999999997 111.057 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.36 96.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 65.5 111.09 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -36.97 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 75.400000000000006 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.83 97.6 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.261 -0.427 . . . . 70.400000000000006 111.06 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.05 -44.76 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 71.299999999999997 111.146 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tpt85 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.454 -0.339 . . . . 72.200000000000003 111.096 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.5 70.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 61.200000000000003 111.212 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -69.19 -38.98 78.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.200000000000003 111.073 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.89 -33.81 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 43.200000000000003 111.03 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.65 -38.4 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 72.099999999999994 111.248 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -36.48 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 71.400000000000006 111.075 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -70.95 -36.1 72.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 75.5 111.077 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.24 -36.02 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 55.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -29.21 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 71.400000000000006 111.152 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmm-85 -77.69 -39.73 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 75.200000000000003 111.013 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.47 -40.01 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 73.299999999999997 111.298 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.83 -32.57 71.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.247 -0.433 . . . . 74.299999999999997 111.043 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.77 61.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 70.299999999999997 111.012 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 67' ' ' ALA . 18.4 mt -71.22 -46.57 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 111.038 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.73 -31.77 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 44.100000000000001 111.079 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -29.78 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.400000000000006 110.583 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -73.23 -48.42 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.481 -0.327 . . . . 73.400000000000006 111.042 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -69.64 -41.0 76.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.378 -0.373 . . . . 71.200000000000003 111.067 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.9 mtt180 -58.41 -42.26 86.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 72.200000000000003 111.072 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 70.400000000000006 111.079 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.869 0.366 . . . . 75.200000000000003 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.98 -36.07 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 62.299999999999997 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -72.05 -30.88 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.5 mmtt -71.13 -43.58 67.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 65.5 110.913 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.604 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.64 -38.79 82.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 51.5 111.287 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mt -69.84 -29.86 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 111.166 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -30.1 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 71.400000000000006 110.983 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -74.79 -31.73 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.934 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ALA . 30.4 t -78.69 -30.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 75.5 111.085 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 m -71.63 -37.28 70.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 54.299999999999997 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.16 64.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.001 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.31 -46.69 48.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 65.099999999999994 111.213 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -59.67 -45.67 91.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 42.399999999999999 110.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.38 -32.29 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 71.5 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -39.81 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.988 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -38.48 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 63.100000000000001 111.032 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.46 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 73.400000000000006 111.042 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.19 25.86 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 52.100000000000001 111.355 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 56.89 48.4 16.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 75.5 111.065 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.34 46.08 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -53.85 -34.13 58.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 64.5 111.058 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.2 -45.09 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 55.299999999999997 110.828 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -39.68 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 75.400000000000006 110.826 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.07 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.299999999999997 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 71' ' ' LYS . 3.6 tp -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 70.400000000000006 110.869 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.34 64.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -70.77 -45.14 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.099999999999994 110.898 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.633 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -67.84 -41.85 82.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.965 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -62.58 -32.74 73.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.0 -41.64 67.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 72.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.19 -33.97 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.0 111.244 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 64' ' ' LEU . 26.2 t -69.76 -33.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 50.299999999999997 111.119 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.1 -34.06 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -72.91 -30.89 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 65.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -72.34 -43.88 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 53.200000000000003 110.992 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.66 -45.8 85.19 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.2 -0.454 . . . . 71.5 110.977 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 60.5 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.88 81.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 44.200000000000003 111.035 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 56' ' ' ILE . 13.9 mt -73.31 -44.31 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 111.12 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -52.61 64.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 74.099999999999994 111.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.16 -63.85 1.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.9 -0.591 . . . . 73.5 111.234 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.22 86.09 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.76 118.69 30.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 52.399999999999999 111.148 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.648 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.01 -168.04 1.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.485 -0.325 . . . . 75.299999999999997 110.85 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 175.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 54.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -34.6 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 64.200000000000003 110.884 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -52.3 65.84 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.07 -0.514 . . . . 73.5 110.808 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.94 -32.19 63.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 72.200000000000003 111.21 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -70.1 -46.22 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.012 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -37.09 78.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.989 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -62.09 -47.73 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 43' ' ' ILE . 12.5 mt -71.1 -37.6 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 63.100000000000001 111.092 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.3 tpt85 -61.49 -40.52 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 71.200000000000003 111.117 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 71.200000000000003 111.354 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -50.92 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 65.299999999999997 111.105 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.1 p -58.92 -38.21 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 65.200000000000003 111.116 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 57' ' ' ARG . 37.0 t -62.44 -36.08 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 74.299999999999997 111.173 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -73.56 -36.2 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 70.299999999999997 111.057 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.0 -35.97 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 62.200000000000003 111.048 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 36' ' ' VAL . 4.2 mt -65.48 -41.45 93.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 51.399999999999999 111.058 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 55.200000000000003 111.079 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 111.01 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -29.92 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 111.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -32.58 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.908 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -30.23 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 52.399999999999999 110.862 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.3 mt -73.07 -36.92 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 74.400000000000006 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' A' ' 29' ' ' LEU . 11.5 tttt -68.77 -41.84 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.083 0.468 . . . . 63.200000000000003 110.921 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -30.56 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 75.200000000000003 110.877 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.49 -50.23 27.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 72.099999999999994 110.951 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -70.23 -31.18 68.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.148 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' N ' HD12 ' A' ' 74' ' ' LEU . 4.3 mtt180 -69.7 -38.92 77.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 73.200000000000003 110.795 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 63.399999999999999 110.748 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 61.399999999999999 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.48 -45.22 55.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -65.57 -30.58 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.0 110.967 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.7 mttp -71.07 -36.78 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.96 -33.22 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.200000000000003 111.193 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 7' ' ' GLN . 17.5 mt -72.49 -29.68 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.200000000000003 111.114 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -30.08 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.200000000000003 111.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.72 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.5 mm? -77.0 -31.38 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 74.5 111.094 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 9' ' ' ALA . 26.2 t -75.84 -29.66 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 111.284 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 m -77.5 -35.94 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 65.400000000000006 111.055 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.16 -45.28 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 111.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -59.22 -46.13 89.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 71.5 110.966 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.09 -38.66 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.299999999999997 111.028 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.67 -40.55 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 111.038 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -36.78 63.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 71.200000000000003 111.031 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -22.2 58.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 42.399999999999999 111.176 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.01 26.29 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.443 -0.344 . . . . 71.400000000000006 111.425 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 56.49 49.43 14.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 75.099999999999994 111.094 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -123.97 46.19 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.299999999999997 110.804 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -53.19 -30.31 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 65.200000000000003 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -47.04 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 71.400000000000006 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -41.15 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.31 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 61.399999999999999 111.161 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD21 ' HG3' ' A' ' 71' ' ' LYS . 10.6 tp -63.84 -43.17 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.953 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.73 -34.71 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.5 110.862 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -67.22 -44.17 80.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.2 m-85 -67.13 -42.59 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.919 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.63 -33.01 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 70.200000000000003 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -71.79 -42.03 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.400000000000006 111.017 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.35 -35.64 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.299999999999997 111.248 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 32' ' ' TYR . 34.4 t -71.15 -32.27 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 72.400000000000006 111.18 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.09 -36.09 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -73.02 -33.22 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 111.038 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 8.6 m-85 -70.6 -51.28 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.400000000000006 110.997 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -59.28 -46.0 89.73 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.27 -0.423 . . . . 63.200000000000003 111.007 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.1 t60 -62.93 -30.9 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.955 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.23 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 53.399999999999999 110.976 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 56' ' ' ILE . 11.5 mt -77.87 -43.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 63.299999999999997 111.228 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.9 63.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 72.099999999999994 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 6.5 m-85 -77.68 -64.22 1.2 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 73.400000000000006 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.54 85.36 6.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 110.946 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.83 124.48 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 60.299999999999997 111.13 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.16 -166.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 73.400000000000006 110.833 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 170.65 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.200000000000003 110.693 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.19 -31.06 69.79 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.851 -0.613 . . . . 71.5 111.179 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -50.38 66.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 70.099999999999994 110.912 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -71.57 -35.08 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 74.5 111.239 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -63.58 -48.91 75.48 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.074 -0.512 . . . . 73.5 110.978 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.099999999999994 110.854 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -47.69 84.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 65.400000000000006 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 43' ' ' ILE . 11.8 mt -70.6 -44.36 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 111.063 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 tpt180 -59.85 -42.71 94.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.873 0.368 . . . . 73.299999999999997 111.017 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.73 70.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.281 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.93 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 71.400000000000006 110.95 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -66.77 -32.94 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 63.100000000000001 110.932 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -66.38 -46.6 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 61.200000000000003 111.207 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.61 -42.48 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 71.5 110.935 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -59.49 -35.94 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 61.5 111.012 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.95 -37.03 78.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 55.200000000000003 111.023 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 111.0 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.18 -47.97 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.200000000000003 111.015 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.46 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.2 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.54 -39.64 85.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.099999999999994 111.208 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -39.4 73.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.291 0.567 . . . . 73.200000000000003 111.145 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.35 -40.25 95.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 71.400000000000006 111.006 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.79 -48.01 64.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 72.200000000000003 110.979 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -29.35 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.157 -0.474 . . . . 41.5 110.758 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -67.92 -50.34 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.014 0.435 . . . . 73.200000000000003 111.013 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -73.88 -32.12 63.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.248 0.547 . . . . 64.299999999999997 111.22 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.49 -32.21 69.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.947 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.299999999999997 110.669 -179.638 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.808 0.337 . . . . 51.299999999999997 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.32 -43.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 70.299999999999997 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.6 tp60 -68.46 -31.11 70.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.579 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.72 -34.5 71.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 62.399999999999999 110.873 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -70.95 -36.22 72.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 61.100000000000001 111.135 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.0 mt -67.84 -30.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 73.299999999999997 111.119 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.06 -30.63 63.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.607 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.1 mm? -72.55 -32.15 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.400000000000006 110.945 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.5 t -76.8 -30.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 60.299999999999997 111.203 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -70.82 -41.95 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 54.299999999999997 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -73.1 -28.54 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.0 111.012 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.97 -49.06 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 72.200000000000003 111.187 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -58.74 -46.71 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 55.399999999999999 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.27 -35.12 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 62.299999999999997 110.982 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -44.93 86.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 74.200000000000003 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.01 -30.08 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -27.31 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.914 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 26.43 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 62.100000000000001 111.373 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 tttt 57.1 46.16 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 64.099999999999994 111.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.97 45.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.299999999999997 110.936 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -54.08 -30.37 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.400000000000006 111.133 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.9 -50.28 50.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.17 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.299999999999997 110.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.67 81.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.299999999999997 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.24 -46.51 89.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 111.017 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -70.89 -33.5 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.914 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -76.05 -45.63 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 71.5 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.17 -33.73 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.200000000000003 111.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.77 -50.17 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.986 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -57.93 -29.81 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 64.400000000000006 111.226 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.0 t -71.82 -36.29 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 55.5 111.092 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.03 -38.69 75.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.100000000000001 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.83 -35.83 81.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 75.200000000000003 110.955 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -68.97 -51.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 73.099999999999994 110.985 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 43' ' ' ILE . 36.1 mt -59.5 -38.97 82.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 111.045 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.56 -30.69 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 51.399999999999999 110.964 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.29 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.299999999999997 111.036 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 56' ' ' ILE . 13.4 mt -71.54 -45.28 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 63.100000000000001 111.205 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -50.86 72.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.400000000000006 111.058 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -79.6 -64.16 1.25 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.139 0.495 . . . . 63.100000000000001 111.408 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.71 85.97 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 72.5 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.21 108.94 19.9 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.318 -0.401 . . . . 72.299999999999997 111.054 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -89.17 -169.09 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.977 0.418 . . . . 74.299999999999997 110.777 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 171.12 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 53.100000000000001 110.915 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.11 -35.92 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.879 0.371 . . . . 73.400000000000006 110.775 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -63.05 -49.86 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 72.400000000000006 111.04 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.91 -36.43 64.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 62.299999999999997 111.114 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -69.57 -32.75 71.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 111.03 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.78 -42.35 61.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.893 -0.594 . . . . 74.299999999999997 111.023 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -60.01 -40.77 90.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 74.0 110.952 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 HD11 ' A' ' 43' ' ' ILE . 9.4 mt -70.17 -40.34 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 74.400000000000006 111.043 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.1 tpt85 -65.07 -38.08 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.451 -0.341 . . . . 71.200000000000003 111.049 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.22 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 63.5 111.339 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -35.71 61.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 71.400000000000006 110.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.43 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 61.100000000000001 110.978 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -68.04 -44.4 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 111.311 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -74.2 -30.79 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.0 111.071 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.65 -39.15 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 111.041 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.46 -30.29 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 111.074 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 73.400000000000006 111.036 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -80.14 -32.08 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 111.011 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.08 -32.37 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.5 111.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.0 -44.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.285 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.98 -29.39 67.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 75.400000000000006 111.037 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 67' ' ' ALA . 9.2 mt -72.66 -47.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.099999999999994 111.084 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 74' ' ' LEU . 8.5 ptpt -72.66 -34.21 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 111.044 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -28.89 70.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.508 . . . . 74.5 111.41 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.05 -49.79 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 111.523 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -63.72 -43.17 97.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 61.200000000000003 111.672 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.803 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.4 ptp180 -61.67 -31.77 71.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.809 0.338 . . . . 72.099999999999994 111.048 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 65.099999999999994 110.987 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.79 0.329 . . . . 63.299999999999997 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.94 -33.8 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.200000000000003 110.872 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.7 tp60 -71.96 -34.89 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.299999999999997 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.68 -40.6 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.932 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.96 -39.67 86.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.299999999999997 111.143 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt -67.36 -30.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 111.117 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -30.26 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.966 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.6 mm? -76.47 -31.09 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 72.200000000000003 110.965 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 -30.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 111.132 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.3 m -75.63 -34.77 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 31' ' ' LEU . 3.0 tttm -72.99 -30.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.951 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -45.31 41.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.200000000000003 111.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 t -58.11 -43.86 87.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 63.399999999999999 111.058 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.02 -32.26 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.93 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.18 -38.31 56.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -47.17 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.299999999999997 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -75.15 -17.45 60.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 111.158 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.79 24.13 4.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.514 -0.312 . . . . 52.200000000000003 111.452 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 56.73 44.95 22.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 75.099999999999994 111.17 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -123.93 46.11 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 62.5 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -51.89 -38.64 56.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 62.399999999999999 111.164 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.45 -46.28 90.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.299999999999997 110.81 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -38.93 75.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 70.099999999999994 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.15 -32.82 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 70.299999999999997 111.086 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.9 -48.54 76.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.099999999999994 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -34.18 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.037 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.04 -41.06 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.299999999999997 110.929 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.8 m-85 -68.49 -47.46 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.299999999999997 110.875 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.19 -39.16 81.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.299999999999997 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.14 -32.59 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.935 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.0 -38.46 72.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.099999999999994 111.245 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.4 t -68.99 -32.38 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 111.242 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.69 -34.81 74.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.953 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -73.01 -30.8 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.400000000000006 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.2 m-85 -72.92 -36.3 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.400000000000006 110.936 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -39.31 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 63.100000000000001 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -71.58 -31.44 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 64.099999999999994 110.957 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 74.5 111.011 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.618 HD11 HG22 ' A' ' 56' ' ' ILE . 20.3 mt -75.46 -44.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 51.200000000000003 111.349 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.38 69.68 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.936 -0.574 . . . . 43.299999999999997 110.948 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.32 -64.01 1.27 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.138 -0.483 . . . . 75.099999999999994 111.076 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.62 88.02 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 75.099999999999994 110.919 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.38 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.211 -0.449 . . . . 75.299999999999997 111.129 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -139.37 -169.46 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.871 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -62.86 172.43 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 74.200000000000003 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -37.92 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.533 . . . . 73.299999999999997 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.75 -49.81 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.299999999999997 110.978 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -37.47 64.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.517 -0.31 . . . . 54.5 111.019 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -66.1 -47.23 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.2 -36.99 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.947 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -58.33 -47.28 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 5.9 mt -71.06 -38.84 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 111.024 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -62.66 -41.43 99.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 75.099999999999994 110.926 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.05 70.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.969 -0.56 . . . . 62.200000000000003 111.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -69.07 -34.87 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 63.100000000000001 111.0 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -34.98 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 111.001 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.52 -41.97 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.100000000000001 111.212 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -74.93 -37.97 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 111.104 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.02 -35.99 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.022 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.557 ' HG ' HG11 ' A' ' 36' ' ' VAL . 8.7 mt -70.73 -29.96 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 73.400000000000006 111.084 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -30.02 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 74.400000000000006 111.065 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -73.76 -45.9 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 74.299999999999997 111.078 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -58.65 -29.58 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 40.399999999999999 111.296 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.82 -43.28 62.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 74.200000000000003 110.999 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -30.14 70.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.121 0.486 . . . . 73.299999999999997 111.153 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 67' ' ' ALA . 49.1 mt -69.78 -39.57 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 71.299999999999997 111.049 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -73.0 -42.27 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.085 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -28.92 67.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.998 -0.546 . . . . 72.299999999999997 111.248 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.05 -49.93 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.352 -0.386 . . . . 64.400000000000006 111.53 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -63.8 -38.75 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.946 0.35 . . . . 73.400000000000006 111.946 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.3 ptp180 -68.55 -30.4 69.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 72.400000000000006 110.994 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.778 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 61.399999999999999 110.955 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.91 -37.91 64.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.200000000000003 110.97 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -68.2 -32.96 73.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 74.200000000000003 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmtt -71.86 -32.55 67.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 75.400000000000006 110.924 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.703 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -74.7 -39.83 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 50.5 111.122 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.15 -30.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.5 111.209 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.72 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 62.299999999999997 111.032 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -73.14 -33.66 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 75.299999999999997 110.93 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.0 m -76.39 -30.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 62.200000000000003 111.187 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 m -71.86 -37.49 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.099999999999994 111.008 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -30.23 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 111.034 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.77 -47.35 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.400000000000006 111.233 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 75.099999999999994 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.8 -35.54 81.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 70.299999999999997 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.9 -38.3 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.916 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD2' HD21 ' A' ' 70' ' ' LEU . 3.9 t0 -53.96 -39.26 65.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 75.400000000000006 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -75.08 -21.21 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.1 23.96 5.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.502 -0.317 . . . . 73.400000000000006 111.535 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.7 40.78 29.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 60.299999999999997 111.147 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.29 46.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -51.77 -39.16 58.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 64.5 111.192 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.53 -43.47 89.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -39.61 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -34.73 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.299999999999997 111.167 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.5 -43.68 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.299999999999997 110.987 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -35.52 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.003 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -70.97 -34.43 71.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 111.02 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.9 m-85 -73.01 -46.7 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 72.099999999999994 110.958 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.94 -36.47 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.28 -40.16 89.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -64.17 -30.2 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 74.099999999999994 111.244 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.17 -32.83 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 61.299999999999997 111.288 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.02 -37.88 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.5 111.008 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -72.89 -32.54 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 111.059 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 4.7 m-85 -72.48 -42.25 65.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 54.100000000000001 111.005 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 43' ' ' ILE . 18.7 mt -64.79 -46.0 83.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 111.069 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.87 -36.21 82.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 71.5 110.947 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.79 98.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 71.299999999999997 111.021 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.8 HD11 HG22 ' A' ' 56' ' ' ILE . 7.5 mt -67.85 -51.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 64.400000000000006 111.21 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 72.299999999999997 111.079 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -74.02 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 74.400000000000006 111.202 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.09 88.54 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 74.200000000000003 110.989 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.13 96.91 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 53.100000000000001 111.171 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -77.41 -168.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 73.299999999999997 110.698 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -63.08 175.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 64.299999999999997 110.706 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.86 -31.27 72.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.888 -0.596 . . . . 73.400000000000006 111.048 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -47.99 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.099999999999994 110.956 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.89 -44.96 53.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 73.400000000000006 111.309 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -59.71 -33.03 71.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.132 -0.486 . . . . 72.400000000000006 110.916 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -74.09 -38.18 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 72.099999999999994 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -65.61 -40.1 92.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 65.200000000000003 110.936 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.8 HG22 HD11 ' A' ' 43' ' ' ILE . 13.3 mt -71.18 -35.78 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 111.081 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -68.92 -42.96 76.1 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.2 -0.455 . . . . 53.299999999999997 111.161 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.15 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.400000000000006 111.38 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -70.43 -34.96 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 73.299999999999997 110.994 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.7 m -62.56 -37.36 85.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.299999999999997 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.63 -38.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.400000000000006 111.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.88 -35.75 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.400000000000006 111.039 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -70.85 -36.42 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 72.400000000000006 111.007 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.2 mt -70.77 -29.68 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.200000000000003 111.071 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.61 -32.74 66.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 73.299999999999997 110.957 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -32.02 60.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 63.200000000000003 110.983 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.44 -29.92 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 70.299999999999997 111.183 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -70.88 -45.56 64.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 74.200000000000003 111.018 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -62.78 -30.42 71.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.409 . . . . 65.099999999999994 111.058 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 67' ' ' ALA . 53.3 mt -66.26 -49.99 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.979 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 72.5 110.914 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -30.52 69.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.099999999999994 111.369 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.4 -50.52 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 64.400000000000006 110.983 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -69.6 -32.73 71.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.072 -0.513 . . . . 73.0 111.399 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 26.5 mtp180 -68.12 -47.73 67.34 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.009 0.433 . . . . 73.400000000000006 110.868 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 70.200000000000003 110.804 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 54.100000000000001 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.94 -41.49 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.614 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.07 -31.14 71.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 111.01 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.4 mttm -70.98 -37.1 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.400000000000006 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -67.92 -34.41 76.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 53.399999999999999 111.183 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.5 mt -72.27 -30.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 61.299999999999997 111.142 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -31.11 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.299999999999997 110.977 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.564 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -71.93 -37.77 69.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 110.931 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.04 -29.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 111.187 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.75 -41.4 71.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 65.400000000000006 110.957 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -29.95 63.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.200000000000003 110.93 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.04 -48.59 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 43.399999999999999 111.21 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' GLU . 6.8 t -59.36 -46.37 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.015 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' THR . 12.8 pt-20 -65.97 -34.03 77.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 64.5 110.898 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -45.55 77.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 73.200000000000003 110.9 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' HD21 ' A' ' 70' ' ' LEU . 5.8 t0 -54.52 -30.07 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 73.099999999999994 111.072 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -27.44 60.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 61.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.08 27.29 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 65.099999999999994 111.32 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 57.18 56.11 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 73.5 111.006 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -123.97 46.14 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 110.879 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.44 -30.0 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.096 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.35 -52.22 29.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -35.36 78.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.82 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.200000000000003 111.225 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 71' ' ' LYS . 23.8 tp -62.03 -41.9 98.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.911 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -77.97 -33.33 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.964 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.1 mm? -70.61 -37.87 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 111.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -73.01 -41.11 64.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.82 -30.31 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.999 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.2 -39.5 75.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.299999999999997 111.267 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 32' ' ' TYR . 25.3 t -68.97 -37.54 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 74.400000000000006 111.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.84 -37.36 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 64.299999999999997 111.029 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -67.09 -33.99 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.041 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.1 m-85 -72.13 -38.59 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 111.015 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.08 -39.27 82.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -71.71 -30.89 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 64.400000000000006 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.98 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 54.299999999999997 111.01 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.99 -46.2 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 63.200000000000003 111.103 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -53.1 61.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.247 -0.433 . . . . 62.299999999999997 110.956 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -75.29 -63.9 1.18 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.107 -0.497 . . . . 73.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.22 95.13 8.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 71.099999999999994 111.056 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.43 151.26 19.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.818 0.342 . . . . 61.299999999999997 111.215 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -137.87 -168.07 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 70.299999999999997 110.661 -179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 167.51 4.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.412 -0.358 . . . . 74.299999999999997 111.303 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.89 -38.36 72.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.97 0.414 . . . . 62.100000000000001 110.999 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -48.97 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.200000000000003 110.994 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -34.65 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 73.200000000000003 111.269 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -48.85 51.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.046 -0.525 . . . . 61.200000000000003 111.068 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -37.12 85.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 73.400000000000006 110.851 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -60.21 -43.77 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 74.200000000000003 111.009 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.67 HG22 HD11 ' A' ' 43' ' ' ILE . 10.6 mt -71.26 -40.7 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 73.200000000000003 111.004 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -59.85 -48.16 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 61.200000000000003 111.035 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.79 71.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.275 -0.42 . . . . 73.400000000000006 111.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -70.21 -35.83 74.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 52.100000000000001 110.988 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.38 -36.72 85.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.044 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -64.95 -43.61 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 111.198 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -74.45 -31.15 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.299999999999997 111.093 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.95 -35.99 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.048 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.74 -30.52 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.200000000000003 111.097 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.03 -30.01 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.089 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -32.04 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.099999999999994 111.003 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -70.95 -29.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 51.299999999999997 111.243 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.39 -39.99 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 73.299999999999997 110.948 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.84 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.299999999999997 111.141 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.4 mt -69.56 -49.36 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.099999999999994 111.002 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.6 -31.94 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.200000000000003 111.064 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -29.01 60.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.400000000000006 111.294 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -75.21 -49.89 17.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 64.5 111.208 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -62.59 -44.98 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 64.400000000000006 111.291 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.753 ' N ' HD12 ' A' ' 74' ' ' LEU . 9.3 ptt85 -61.7 -40.34 94.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 64.5 111.078 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 64.200000000000003 110.834 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.792 0.329 . . . . 51.5 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.97 -31.99 63.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -35.22 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.764 ' O ' HD23 ' A' ' 12' ' ' LEU . 24.1 mttp -70.79 -34.1 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.100000000000001 110.926 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.5 -40.23 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 71.200000000000003 111.16 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.92 -35.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 55.100000000000001 111.079 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.71 -31.48 52.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.399999999999999 110.917 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.79 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.5 mm? -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' A' ' 35' ' ' ALA . 27.6 m -80.08 -32.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.299999999999997 111.118 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -68.69 -37.75 79.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.400000000000006 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.47 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.908 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.55 -46.95 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 75.200000000000003 111.144 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -44.16 92.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.959 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.6 -39.54 84.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.5 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.52 -39.19 88.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 71.099999999999994 110.849 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -55.07 -41.78 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 70.200000000000003 111.037 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.06 -18.01 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.099999999999994 111.266 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.334 . . . . 65.099999999999994 111.373 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 57.52 30.11 18.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 64.099999999999994 111.05 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.92 46.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.791 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -53.07 -30.78 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.400000000000006 111.082 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.34 -46.68 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.72 -40.6 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.299999999999997 110.924 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.93 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 111.074 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.6 -49.09 74.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 61.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.948 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 12' ' ' LEU . 2.7 mm? -67.42 -36.91 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 75.400000000000006 110.985 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -75.9 -43.48 45.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -61.35 -40.44 94.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.945 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.099999999999994 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -69.7 -36.55 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 111.143 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HG ' ' A' ' 64' ' ' LEU . 27.6 t -70.32 -34.48 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.400000000000006 111.051 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.35 -35.91 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 55.100000000000001 111.004 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -72.5 -30.85 64.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 72.200000000000003 110.971 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.5 m-85 -69.15 -49.43 56.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 70.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.99 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 63.399999999999999 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -66.29 -30.17 70.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.299999999999997 111.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.86 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 60.299999999999997 111.053 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.853 HD11 HG22 ' A' ' 56' ' ' ILE . 17.3 mt -69.36 -34.02 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 111.341 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -48.22 23.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.016 -0.538 . . . . 63.299999999999997 110.969 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -85.67 -64.07 1.22 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 64.299999999999997 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.89 57.92 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.108 0.48 . . . . 70.099999999999994 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 144.7 56.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.093 -0.503 . . . . 60.200000000000003 110.971 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -134.92 -165.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.462 -0.335 . . . . 74.5 110.755 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 173.43 1.36 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.373 -0.376 . . . . 74.400000000000006 110.768 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -31.24 69.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 50.399999999999999 111.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.77 -46.14 89.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 74.099999999999994 111.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.68 -42.54 61.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 63.200000000000003 111.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -59.21 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 75.400000000000006 110.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.8 -36.75 80.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.017 -0.538 . . . . 71.099999999999994 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -64.32 -48.24 76.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 111.193 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.853 HG22 HD11 ' A' ' 43' ' ' ILE . 8.0 mt -67.55 -42.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 74.200000000000003 111.201 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -59.93 -36.14 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 72.299999999999997 110.943 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.48 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 55.200000000000003 111.126 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -75.0 -44.91 45.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 36' ' ' VAL . 31.9 p -64.79 -41.08 96.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 61.5 111.141 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 p -66.82 -36.07 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 73.299999999999997 111.237 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -41.43 76.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.855 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' HB2' HG22 ' A' ' 36' ' ' VAL . 27.7 m-85 -70.99 -36.63 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 64.099999999999994 111.002 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.81 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.7 mt -59.96 -43.31 95.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 64.099999999999994 111.007 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.74 -38.41 83.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 62.100000000000001 110.97 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -36.5 79.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.200000000000003 110.938 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -65.39 -45.85 82.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.17 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.12 -32.17 70.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.099999999999994 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -67.06 -39.05 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.462 . . . . 53.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' ALA . 2.8 mt -68.57 -39.56 80.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.951 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.58 -33.13 70.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.188 -0.46 . . . . 53.399999999999999 111.271 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.1 -50.31 66.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.943 -0.572 . . . . 74.099999999999994 110.96 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -71.75 -32.72 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.56 . . . . 73.400000000000006 111.027 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -65.19 -43.94 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 53.5 110.911 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 50.299999999999997 110.857 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.806 0.336 . . . . 72.299999999999997 111.172 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 p -108.71 132.09 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 51.299999999999997 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.452 HG21 ' HE3' ' A' ' 8' ' ' LYS . 11.7 m -84.83 129.4 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 51.200000000000003 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 m -113.99 -178.89 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 53.299999999999997 110.923 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.3 m -73.49 -39.44 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 51.5 110.915 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -34.48 64.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 71.299999999999997 110.901 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -37.29 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.722 ' O ' HD23 ' A' ' 12' ' ' LEU . 14.9 mttp -67.8 -30.67 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 63.100000000000001 111.022 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.69 -34.2 73.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 111.193 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -73.05 -34.22 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 55.100000000000001 111.147 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -30.75 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.399999999999999 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.8 mm? -66.8 -36.56 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 72.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.44 -30.75 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 72.299999999999997 111.191 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -71.56 -35.76 70.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 73.400000000000006 110.948 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -30.19 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.002 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -74.84 -45.69 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 75.200000000000003 111.208 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -58.87 -45.04 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 75.5 111.014 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.72 -36.38 80.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 73.5 110.844 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 71.099999999999994 110.958 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD2' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -53.97 -38.46 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.976 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.03 -19.92 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.7 27.49 3.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.513 -0.312 . . . . 65.099999999999994 111.4 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tttt 57.38 31.12 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 64.099999999999994 111.064 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -109.04 46.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 75.200000000000003 110.811 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.93 -34.69 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 64.400000000000006 111.101 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.46 -48.08 76.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 70.099999999999994 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -40.32 91.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.299999999999997 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.02 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.099999999999994 111.169 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 71' ' ' LYS . 6.6 tp -64.61 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.399999999999999 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -78.67 -32.6 47.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.034 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.827 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.6 mm? -71.0 -49.79 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.400000000000006 110.958 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m-85 -64.91 -39.66 93.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.964 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.96 -40.29 91.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.026 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.07 -42.47 94.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.099999999999994 111.011 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.771 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.77 -41.12 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 111.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.684 HG11 ' HG ' ' A' ' 64' ' ' LEU . 24.7 t -63.54 -31.12 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 111.245 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -38.33 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.100000000000001 111.058 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.05 -32.27 64.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.200000000000003 111.023 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.0 m-85 -66.32 -53.93 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 70.0 111.047 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.69 -46.07 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.399999999999999 111.064 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.87 -34.31 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.299999999999997 111.063 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.79 72.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 60.299999999999997 111.147 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.513 HD11 HG22 ' A' ' 56' ' ' ILE . 20.9 mt -77.91 -44.67 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 74.400000000000006 111.332 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -52.61 64.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.119 -0.492 . . . . 63.299999999999997 111.034 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.08 -64.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.852 0.358 . . . . 64.299999999999997 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -87.44 82.51 7.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.035 -0.529 . . . . 70.099999999999994 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.19 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.48 -0.327 . . . . 60.200000000000003 110.978 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -108.1 -165.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 74.5 110.842 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.71 174.29 1.07 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.318 -0.401 . . . . 74.400000000000006 111.169 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.371 -0.377 . . . . 50.399999999999999 111.035 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.02 -45.27 93.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 74.099999999999994 111.115 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.93 -42.06 61.15 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.087 -0.506 . . . . 63.200000000000003 111.277 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -47.44 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 75.400000000000006 110.957 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.59 -37.08 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 71.099999999999994 110.988 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -63.18 -47.48 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.532 . . . . 72.200000000000003 111.063 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG22 HD11 ' A' ' 43' ' ' ILE . 6.4 mt -71.3 -42.02 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 74.200000000000003 110.949 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.726 0.298 . . . . 72.299999999999997 111.134 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.54 -28.15 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 55.200000000000003 111.021 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.98 -46.3 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.099999999999994 111.173 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.51 -41.75 96.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 61.5 111.274 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 73.299999999999997 111.242 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -39.44 73.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.099999999999994 110.993 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -71.01 -36.11 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 64.099999999999994 111.046 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HG ' HG11 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -61.91 -36.12 80.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.099999999999994 111.04 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 62.100000000000001 111.027 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 65.200000000000003 111.056 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -58.66 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.26 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.6 -32.04 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 71.099999999999994 110.911 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.44 -33.5 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 53.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.441 HD22 ' OD2' ' A' ' 20' ' ' ASP . 69.6 mt -64.87 -36.77 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 73.299999999999997 111.037 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.1 tttt -66.82 -46.88 73.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 73.200000000000003 111.066 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -29.21 70.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 53.399999999999999 110.963 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -72.2 -49.56 34.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 111.111 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -72.46 -34.33 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.326 -0.397 . . . . 73.400000000000006 111.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' N ' HD12 ' A' ' 74' ' ' LEU . 1.5 mtt-85 -65.39 -46.33 80.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.107 -0.497 . . . . 53.5 111.058 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -62.68 -45.54 92.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.022 -0.535 . . . . 50.299999999999997 111.046 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.135 -0.936 . . . . 62.5 111.017 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.831 0.348 . . . . 74.099999999999994 111.162 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -139.67 167.5 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 63.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -83.46 103.54 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.929 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -179.65 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.798 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -67.34 -30.96 70.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 73.400000000000006 111.089 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -49.32 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 65.099999999999994 110.948 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.34 -33.19 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 61.299999999999997 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.8 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 mttt -69.29 -39.17 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 74.200000000000003 110.944 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -68.52 -36.87 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 54.299999999999997 111.251 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.81 -31.41 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -30.44 39.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 75.200000000000003 110.971 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.836 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.6 mm? -70.27 -45.28 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 65.5 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' A' ' 35' ' ' ALA . 17.1 m -65.14 -28.83 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 61.299999999999997 111.326 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -75.22 -33.89 61.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 111.004 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.8 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.099999999999994 110.975 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.49 -46.95 29.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 63.0 111.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -57.91 -46.74 84.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 72.0 111.034 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.28 -42.67 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.100000000000001 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.24 -42.22 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 60.299999999999997 110.837 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.89 -33.19 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.400000000000006 110.974 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.27 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 44.299999999999997 111.025 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 25.96 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 71.099999999999994 111.474 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 38.69 29.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.376 -0.375 . . . . 64.5 111.095 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -107.97 46.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 50.5 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -52.17 -30.34 26.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 74.400000000000006 111.096 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 54.100000000000001 110.923 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.05 -38.86 66.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 73.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.49 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.100000000000001 111.206 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -49.83 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 73.099999999999994 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -67.79 -36.0 79.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.200000000000003 110.953 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 71.400000000000006 111.048 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.562 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -74.33 -54.11 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 73.099999999999994 110.928 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.61 -30.82 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 73.0 111.027 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 72.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -70.98 -30.22 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 61.100000000000001 111.226 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.784 HG11 ' HG ' ' A' ' 64' ' ' LEU . 25.3 t -76.45 -31.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 74.200000000000003 111.12 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.33 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.088 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -73.0 -40.43 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.063 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.2 m-85 -63.19 -44.15 96.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 71.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.62 -42.93 98.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 60.299999999999997 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.93 -30.72 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.941 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.17 81.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 71.5 111.066 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 56' ' ' ILE . 14.7 mt -72.87 -44.22 58.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.056 -0.52 . . . . 61.399999999999999 111.063 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -52.8 63.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.88 0.372 . . . . 53.200000000000003 111.083 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -76.36 -64.23 1.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.894 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.35 89.84 6.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.579 . . . . 72.5 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.77 124.53 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 50.399999999999999 111.273 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 m-70 -106.41 -169.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 70.299999999999997 110.95 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -63.34 171.73 2.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 55.399999999999999 110.764 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.89 -36.22 76.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.317 -0.401 . . . . 73.400000000000006 110.817 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.33 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 73.299999999999997 111.06 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -34.35 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 54.299999999999997 111.242 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -69.44 -33.6 73.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 74.400000000000006 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.0 -42.22 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.100000000000001 110.916 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -44.59 93.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 72.099999999999994 111.152 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 43' ' ' ILE . 7.2 mt -70.53 -35.14 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.562 . . . . 74.099999999999994 111.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 tpt85 -66.21 -41.39 90.21 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 115.944 -0.571 . . . . 72.099999999999994 111.099 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.07 -27.53 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 65.5 111.366 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -67.43 -50.9 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 63.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.0 p -59.35 -35.75 74.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 72.299999999999997 111.132 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 57' ' ' ARG . 35.4 t -64.3 -36.82 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 62.200000000000003 111.29 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -35.94 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 51.100000000000001 111.017 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -71.07 -36.12 72.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 75.400000000000006 111.03 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.784 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.2 mt -64.83 -30.2 71.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.027 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.31 70.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 62.5 111.059 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -41.53 79.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.058 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -60.88 -45.52 94.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 30.100000000000001 111.227 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.84 -32.27 69.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.929 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -29.43 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.923 0.392 . . . . 64.400000000000006 111.254 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.43 -50.02 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.5 111.056 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -65.01 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.299999999999997 111.078 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -29.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 74.400000000000006 111.079 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.85 -49.52 14.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 64.299999999999997 111.157 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 72.400000000000006 111.436 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.39 -43.88 89.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.156 -0.475 . . . . 72.299999999999997 111.041 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.5 p -68.66 -44.02 74.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 110.577 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 tttp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.929 . . . . 73.099999999999994 110.936 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 p -126.38 140.68 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.099999999999994 110.913 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.6 p -107.56 116.74 32.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 62.100000000000001 110.981 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.47 174.21 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -78.03 -33.01 51.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 60.100000000000001 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.77 -40.46 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 55.399999999999999 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.99 -33.31 71.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.955 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.3 mtmm -75.35 -30.46 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 111.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.48 -37.76 77.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 41.200000000000003 111.191 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.98 -30.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.400000000000006 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -30.76 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 74.5 111.02 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -76.74 -30.59 56.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.951 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.7 t -74.63 -30.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 74.200000000000003 111.182 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -73.85 -39.89 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.200000000000003 110.992 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -27.54 61.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 111.019 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.82 -42.44 49.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 75.5 111.25 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -66.05 -46.18 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 75.200000000000003 111.017 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -30.05 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 74.299999999999997 110.933 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.9 -45.12 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.200000000000003 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.14 -31.31 61.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 73.099999999999994 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -25.52 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 64.099999999999994 110.955 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.59 27.54 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 63.200000000000003 111.441 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 57.09 32.66 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 74.099999999999994 111.119 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.54 46.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.395 . . . . 64.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -50.57 -44.93 56.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 111.192 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -42.37 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.299999999999997 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -42.77 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 51.200000000000003 110.766 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.0 69.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.299999999999997 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 71' ' ' LYS . 8.9 tp -60.42 -49.27 78.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 71.200000000000003 110.953 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -32.9 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.899 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.7 mm? -71.02 -39.16 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 110.962 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -70.96 -49.05 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 72.099999999999994 110.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.15 -30.35 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.299999999999997 110.986 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.39 -43.86 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 61.399999999999999 110.953 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 61.299999999999997 111.126 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -68.55 -32.67 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 70.0 111.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.53 -34.87 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 71.400000000000006 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -73.03 -33.54 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 44.399999999999999 111.06 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG23 ' A' ' 56' ' ' ILE . 7.8 m-85 -72.15 -42.79 65.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.299999999999997 110.973 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.5 110.987 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -64.78 -38.78 92.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 54.100000000000001 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.08 95.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.099999999999994 111.069 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.8 mt -66.95 -49.07 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.200000000000003 111.148 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -52.99 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 111.011 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.78 -64.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 74.299999999999997 111.127 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -98.38 90.54 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 75.200000000000003 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.76 153.27 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 71.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -135.68 -169.2 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 75.400000000000006 110.81 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.48 169.45 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 75.099999999999994 110.472 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.121 -0.491 . . . . 45.200000000000003 110.931 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.73 -50.25 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.257 -0.429 . . . . 73.200000000000003 110.95 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.14 -35.01 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.746 -0.661 . . . . 73.5 111.207 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -67.88 -36.56 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 62.5 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -37.1 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.84 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -64.36 -45.08 89.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 61.399999999999999 111.056 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 15.2 mt -70.7 -41.09 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 71.400000000000006 111.394 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.9 tpt85 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 73.099999999999994 111.122 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.74 -29.91 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 61.299999999999997 111.068 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 30.8 mttt -70.81 -36.93 73.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 63.5 110.984 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.82 -34.96 79.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -63.87 -46.94 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.200000000000003 111.307 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -30.91 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.299999999999997 111.041 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 8.7 m-85 -70.98 -35.9 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 72.200000000000003 111.023 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.49 -30.91 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 54.100000000000001 111.074 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -29.4 60.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 72.299999999999997 111.046 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -32.37 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 75.200000000000003 111.014 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.21 -34.88 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 62.299999999999997 111.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.01 -37.61 83.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.24 -0.436 . . . . 61.399999999999999 110.866 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -72.85 -29.92 63.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.957 0.408 . . . . 73.400000000000006 111.414 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.58 -48.83 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 65.400000000000006 111.104 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 29' ' ' LEU . 36.3 tttt -63.58 -45.86 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 75.099999999999994 111.036 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -28.91 69.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.97 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.26 -50.39 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 64.400000000000006 111.386 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -70.14 -36.23 74.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.301 -0.409 . . . . 74.400000000000006 111.601 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.2 mtt180 -67.31 -48.96 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 74.299999999999997 110.799 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.4 m -63.31 -57.0 11.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 74.400000000000006 110.552 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.254 -0.879 . . . . 72.099999999999994 110.81 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.845 0.355 . . . . 75.0 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p -141.51 168.23 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 110.966 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 m -106.26 108.54 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 75.099999999999994 110.884 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.76 175.99 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m -72.69 -32.8 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.099999999999994 110.929 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.32 -38.92 78.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 110.954 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -69.53 -40.31 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 65.099999999999994 110.873 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.638 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -66.46 -30.42 70.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 72.200000000000003 110.962 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.26 -42.17 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 63.100000000000001 111.213 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.32 -30.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 111.163 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -30.11 67.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.98 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 31' ' ' LEU . 3.8 mm? -76.0 -30.75 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 70.299999999999997 111.025 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' ALA . 27.6 t -74.17 -30.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 111.183 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -71.67 -37.72 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 60.100000000000001 111.0 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -73.04 -29.93 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 64.099999999999994 110.965 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.67 -47.48 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 111.217 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -58.8 -46.57 87.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 75.099999999999994 110.999 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.47 -37.35 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 65.299999999999997 110.927 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.57 -47.76 80.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -28.27 42.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 111.165 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -72.95 -29.57 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 73.5 110.984 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.84 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.299999999999997 111.285 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 56.41 58.06 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.025 0.441 . . . . 74.299999999999997 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.31 46.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 51.100000000000001 110.85 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -52.54 -30.7 31.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 111.067 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.26 -51.91 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 75.5 110.866 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.6 tp10 -67.26 -40.73 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.400000000000006 110.901 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.91 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.299999999999997 111.123 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HE ' ' A' ' 30' ' ' ARG . 6.1 tp -60.82 -43.39 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.299999999999997 110.921 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HE ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -78.65 -31.53 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.928 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.6 mm? -71.02 -38.23 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 63.399999999999999 110.952 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -75.6 -45.42 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 111.003 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.78 -29.77 67.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 54.0 110.998 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.07 -47.27 59.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 74.200000000000003 110.974 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.21 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.299999999999997 111.252 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.3 t -69.58 -36.73 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 72.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.04 -31.35 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.200000000000003 111.042 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -73.08 -35.05 66.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 65.099999999999994 111.045 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.2 m-85 -70.94 -47.93 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.400000000000006 111.073 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.93 -43.85 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 73.299999999999997 110.988 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.29 -30.42 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 111.039 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.2 91.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.244 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.649 HD11 HG22 ' A' ' 56' ' ' ILE . 4.7 mt -73.01 -46.17 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.911 -0.586 . . . . 74.299999999999997 111.484 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -60.02 -39.1 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.200000000000003 111.079 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -91.02 -63.95 1.2 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 111.55 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -97.31 91.85 5.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 75.400000000000006 110.972 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.37 173.03 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 75.200000000000003 111.074 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -158.79 -169.26 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.0 110.856 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -63.1 170.12 3.01 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.107 0.479 . . . . 73.200000000000003 110.451 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -39.75 82.32 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.56 -0.745 . . . . 74.299999999999997 111.023 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -58.96 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 111.123 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -29.94 61.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.995 -0.548 . . . . 71.099999999999994 111.071 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -74.14 -48.88 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.67 0.272 . . . . 72.0 111.063 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -37.08 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 63.200000000000003 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -59.01 -50.32 74.56 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.156 -0.474 . . . . 71.099999999999994 110.875 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.649 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.02 -36.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.200000000000003 111.166 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.89 -52.1 61.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.382 -0.372 . . . . 75.400000000000006 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 71.299999999999997 111.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -70.21 -36.28 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 71.200000000000003 111.008 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -63.89 -35.98 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 52.100000000000001 111.022 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 -39.64 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.100000000000001 111.291 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -31.89 61.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.299999999999997 110.973 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.91 -35.97 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 65.0 111.031 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.0 mt -71.09 -29.3 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 111.059 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -30.9 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 73.099999999999994 111.014 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -42.61 36.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 72.400000000000006 110.982 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -64.28 -30.07 71.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 61.200000000000003 111.273 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.29 -37.55 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 70.200000000000003 111.065 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.94 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.99 0.424 . . . . 72.200000000000003 111.174 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 67' ' ' ALA . 80.1 mt -67.43 -38.74 85.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.099999999999994 110.958 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.69 -46.08 63.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 53.5 111.014 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -28.82 66.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 63.5 111.136 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -76.48 -49.9 15.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.273 -0.421 . . . . 72.400000000000006 111.158 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -71.68 -32.42 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 52.0 111.275 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.46 -36.4 65.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 75.5 110.87 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -67.33 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 63.5 110.976 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.368 -0.825 . . . . 73.200000000000003 110.705 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.821 0.343 . . . . 73.400000000000006 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 m -87.79 113.59 23.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.400000000000006 111.002 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 t -129.01 168.07 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.902 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t -61.59 162.54 8.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 60.100000000000001 110.756 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -31.45 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 52.200000000000003 110.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.14 -45.63 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 62.299999999999997 110.932 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.38 -30.93 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 53.299999999999997 111.028 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 mttm -67.75 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.999 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.76 -35.7 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.5 111.216 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.1 mt -71.85 -29.69 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -29.58 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.392 . . . . 43.299999999999997 111.005 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.3 mm? -76.6 -30.45 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 70.400000000000006 110.993 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.0 t -80.03 -29.91 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 63.5 111.181 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.8 m -70.08 -39.36 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 75.299999999999997 110.988 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -72.86 -46.18 54.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 45.100000000000001 111.255 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 t -59.12 -43.52 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 73.299999999999997 111.046 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.98 -38.26 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 72.099999999999994 110.999 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.25 -42.73 88.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 62.200000000000003 111.012 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -53.95 -34.46 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 72.099999999999994 111.023 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -23.22 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 75.200000000000003 111.097 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.17 26.73 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 73.299999999999997 111.42 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.66 36.97 28.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 62.100000000000001 111.028 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.44 46.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.100000000000001 110.769 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -51.55 -34.97 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.03 -40.87 87.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 110.894 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.1 tp10 -72.84 -32.17 65.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.955 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.81 80.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 73.299999999999997 111.176 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.63 -48.25 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.5 110.957 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -70.72 -33.93 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.099999999999994 110.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.9 mm? -71.04 -40.19 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 62.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -69.79 -46.56 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.954 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.3 -31.44 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.5 111.033 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.82 -37.28 76.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.032 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -67.55 -40.21 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 70.299999999999997 111.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -60.02 -42.57 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.200000000000003 111.203 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.05 -47.96 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 63.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -61.16 -39.46 90.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.02 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 3.5 m-85 -60.85 -53.02 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 71.299999999999997 110.965 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 43' ' ' ILE . 2.0 mp -59.62 -45.96 90.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 51.299999999999997 110.973 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -60.67 -30.54 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 73.099999999999994 110.988 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.03 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.208 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 56' ' ' ILE . 7.9 mt -78.05 -47.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 74.5 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -53.05 62.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.365 -0.38 . . . . 75.5 110.977 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -73.62 -64.32 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.007 0.432 . . . . 52.299999999999997 111.211 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.64 82.41 3.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 72.099999999999994 110.938 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.94 123.57 30.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.121 -0.491 . . . . 75.5 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -106.3 -165.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 110.87 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.69 171.51 2.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.335 -0.393 . . . . 70.400000000000006 111.302 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -34.03 71.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.707 0.289 . . . . 73.099999999999994 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.5 86.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 75.299999999999997 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -32.28 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 111.212 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -67.66 -47.49 69.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 65.5 110.934 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.97 -38.55 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 60.299999999999997 110.841 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -60.27 -48.8 80.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.352 -0.386 . . . . 55.100000000000001 110.894 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 10.1 mt -71.19 -39.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.099999999999994 111.154 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.7 tpt85 -60.23 -37.18 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 73.400000000000006 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.01 -28.05 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.399999999999999 111.163 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -68.51 -51.08 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.299999999999997 111.163 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.59 -40.37 83.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 75.400000000000006 111.188 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 57' ' ' ARG . 38.3 t -61.69 -36.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 54.200000000000003 111.139 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -36.3 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 63.399999999999999 111.076 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -70.98 -36.29 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.021 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.56 -39.5 93.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.987 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.5 -48.08 76.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 54.399999999999999 111.105 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -60.85 -46.63 89.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 111.083 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -57.67 -28.85 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 111.261 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.56 -39.14 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.397 . . . . 62.100000000000001 111.179 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -33.35 74.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.224 0.535 . . . . 72.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 67' ' ' ALA . 73.2 mt -64.1 -39.47 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 65.200000000000003 111.06 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -66.97 -47.77 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.028 0.442 . . . . 74.200000000000003 110.966 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -29.04 70.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.266 -0.424 . . . . 70.099999999999994 111.374 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.94 -50.05 32.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 111.166 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -74.53 -38.74 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.143 0.497 . . . . 70.5 111.241 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.5 mtp180 -60.92 -53.14 60.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 73.200000000000003 110.847 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -59.88 -51.66 68.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 74.299999999999997 111.047 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.304 -0.855 . . . . 75.200000000000003 110.922 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.784 0.326 . . . . 60.299999999999997 111.225 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 m -135.49 141.45 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 73.400000000000006 110.889 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -96.45 116.16 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 65.200000000000003 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.74 177.64 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 60.100000000000001 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m -78.04 -39.5 41.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -34.61 63.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.400000000000006 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -70.05 -31.09 68.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 63.399999999999999 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 12' ' ' LEU . 13.0 mtmm -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 71.400000000000006 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.39 -32.09 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 63.200000000000003 111.202 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.4 mt -73.05 -30.29 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 55.100000000000001 111.158 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.200000000000003 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.1 mm? -73.03 -30.68 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 74.299999999999997 111.036 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.7 t -74.14 -30.66 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 50.399999999999999 111.182 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -72.24 -40.35 67.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -27.83 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.5 111.048 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.688 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -71.91 -49.59 36.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 60.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.66 -46.96 86.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 111.146 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.24 -29.91 70.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 63.299999999999997 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.57 -39.48 58.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 75.5 111.03 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -48.03 70.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 63.100000000000001 111.011 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -16.3 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 74.299999999999997 111.362 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.12 24.52 4.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 52.0 111.495 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 56.41 38.17 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 71.400000000000006 111.091 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.74 46.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.200000000000003 110.801 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -52.87 -38.14 61.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 111.18 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -52.33 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.06 -39.99 94.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.98 69.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 61.100000000000001 111.177 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD21 ' HE3' ' A' ' 71' ' ' LYS . 4.9 tp -63.02 -45.89 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.400000000000006 111.052 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -77.75 -30.8 51.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.964 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.8 mm? -69.82 -43.47 71.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 72.299999999999997 110.978 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -69.19 -46.76 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.968 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.62 -31.03 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 62.200000000000003 111.035 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.79 -45.78 60.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 73.400000000000006 111.075 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.61 -33.61 70.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 74.400000000000006 111.202 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.3 t -71.18 -32.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 73.299999999999997 111.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.97 -33.82 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 54.399999999999999 111.038 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.96 -31.32 64.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 71.099999999999994 111.009 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.9 m-85 -72.51 -46.7 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 111.031 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.57 -41.77 90.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 53.200000000000003 111.073 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.8 t60 -68.31 -34.26 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 61.299999999999997 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.87 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 56' ' ' ILE . 5.1 mt -73.51 -46.38 48.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.118 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -45.11 92.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 62.5 111.023 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 8.8 m-85 -81.92 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 72.299999999999997 111.386 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -98.3 93.58 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 73.5 110.974 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.82 107.63 18.76 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.888 0.375 . . . . 34.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 51.6 m-70 -83.65 -174.66 5.41 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.857 -0.611 . . . . 71.0 110.745 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -63.19 173.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.636 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -42.2 79.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 72.200000000000003 111.079 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.77 -49.4 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 43.100000000000001 110.771 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.09 -34.58 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.672 -0.24 . . . . 63.399999999999999 111.03 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -71.56 -35.27 70.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.822 0.344 . . . . 70.400000000000006 110.905 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -74.08 -37.07 64.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 71.299999999999997 110.828 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 72.299999999999997 111.024 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.32 -39.7 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.065 -0.516 . . . . 54.200000000000003 110.993 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -59.4 -45.03 92.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 74.200000000000003 110.918 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.58 -29.82 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 72.099999999999994 111.008 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -69.37 -38.88 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.991 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.7 m -65.42 -32.94 74.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 63.200000000000003 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.3 t -65.44 -42.57 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.299999999999997 111.284 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.299999999999997 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.474 ' HB3' HG22 ' A' ' 36' ' ' VAL . 12.9 m-85 -71.11 -36.01 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 111.018 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -73.46 -29.82 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.400000000000006 111.151 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.15 -30.93 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 61.399999999999999 111.061 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -32.16 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.299999999999997 111.002 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -66.73 -29.98 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.249 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -32.05 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 65.200000000000003 110.976 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -73.44 -30.17 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.155 -0.475 . . . . 71.299999999999997 111.002 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.2 mt -70.17 -35.94 74.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 72.400000000000006 111.021 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' HD21 ' A' ' 29' ' ' LEU . 8.2 tttt -73.31 -47.17 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 72.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -28.93 66.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 63.299999999999997 110.958 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -76.3 -50.34 14.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 72.400000000000006 111.084 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -70.29 -36.96 74.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 74.299999999999997 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.9 ttt180 -72.68 -31.15 64.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.281 -0.418 . . . . 55.5 110.889 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 m -68.66 -50.8 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.94 0.4 . . . . 63.5 110.898 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.285 -0.864 . . . . 71.5 110.916 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.827 0.346 . . . . 74.200000000000003 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 p -67.0 158.33 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 70.099999999999994 110.898 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 p -96.53 154.67 17.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 73.5 110.884 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 -176.08 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.400000000000006 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -72.36 -31.37 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.5 -44.37 67.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.400000000000006 110.914 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -64.08 -37.36 87.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 55.200000000000003 110.98 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HD23 ' A' ' 12' ' ' LEU . 21.7 mttt -65.49 -43.31 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 54.200000000000003 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.91 -38.85 87.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 75.299999999999997 111.138 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.6 mt -68.21 -29.52 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 73.5 111.205 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.62 -35.25 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 64.299999999999997 111.001 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -69.0 -30.44 68.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 73.0 111.019 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.5 t -77.26 -29.64 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 74.099999999999994 111.23 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -69.38 -42.78 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 111.116 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 53.299999999999997 111.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -44.3 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.299999999999997 111.411 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 51.399999999999999 111.12 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.84 -30.74 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 74.200000000000003 110.95 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -38.53 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.399999999999999 111.013 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -48.09 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.5 111.04 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.01 -15.63 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 63.299999999999997 111.345 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.39 26.72 3.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.744 0.307 . . . . 73.299999999999997 111.464 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 56.44 29.88 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 70.5 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -110.9 46.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -51.86 -43.77 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.400000000000006 111.164 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.11 -45.65 90.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.099999999999994 110.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -39.19 79.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.400000000000006 110.88 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.62 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.183 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.25 -39.96 93.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.200000000000003 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.42 -38.27 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 12' ' ' LEU . 4.2 mm? -71.14 -32.58 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 62.200000000000003 110.9 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 m-85 -72.2 -42.43 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.95 -30.41 70.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 52.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -69.46 -37.58 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.299999999999997 110.971 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -69.09 -30.33 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 53.100000000000001 111.137 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.7 t -73.33 -33.12 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 75.299999999999997 111.145 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.95 -33.07 71.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 111.029 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.95 -36.66 67.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 62.5 110.98 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.4 m-85 -66.61 -44.28 82.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 70.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.82 -46.07 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.200000000000003 111.08 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -66.76 -30.9 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.02 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.7 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 72.400000000000006 110.98 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.847 HD11 ' CG2' ' A' ' 56' ' ' ILE . 7.5 mt -77.92 -39.1 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.983 0.421 . . . . 74.099999999999994 111.301 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -53.05 60.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 74.200000000000003 110.953 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 41.9 m-85 -82.69 -64.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.463 -0.335 . . . . 72.099999999999994 110.867 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -85.19 78.71 9.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.144 0.497 . . . . 73.299999999999997 110.796 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 128.74 34.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 75.099999999999994 111.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -114.82 -167.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.400000000000006 110.835 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -62.65 172.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 74.200000000000003 111.111 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.54 -0.3 . . . . 73.5 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.08 87.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 64.400000000000006 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.7 -43.62 58.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.032 0.444 . . . . 51.0 111.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 74.299999999999997 110.958 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.95 -38.42 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 61.299999999999997 111.083 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.82 -44.57 93.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 61.100000000000001 111.155 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.847 ' CG2' HD11 ' A' ' 43' ' ' ILE . 14.1 mt -70.76 -42.99 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.164 0.507 . . . . 65.299999999999997 111.371 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -59.74 -36.08 75.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.838 -0.619 . . . . 71.099999999999994 110.961 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.14 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.975 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -35.0 62.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 72.200000000000003 111.035 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -58.67 -51.02 71.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 74.099999999999994 111.089 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 111.278 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -42.05 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 71.400000000000006 111.069 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.19 -36.29 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.991 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 36' ' ' VAL . 10.1 mt -67.29 -37.57 83.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 62.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.03 -44.91 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 73.400000000000006 111.064 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.88 -44.91 96.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 111.031 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 50.399999999999999 111.279 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.46 -32.0 69.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.200000000000003 111.021 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -72.78 -32.27 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 51.100000000000001 110.975 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 67' ' ' ALA . 45.7 mt -66.88 -46.09 76.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 61.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.69 -48.32 82.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 63.200000000000003 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -30.23 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.099999999999994 111.21 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -69.03 -50.08 51.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 74.099999999999994 111.026 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.32 -31.29 63.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.176 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -66.49 -44.31 82.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 75.099999999999994 111.058 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -54.9 37.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 74.099999999999994 110.673 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.228 -0.891 . . . . 74.400000000000006 110.889 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.863 0.364 . . . . 72.200000000000003 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.4 p -111.61 149.68 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 73.299999999999997 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.5 p -111.33 102.2 10.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.400000000000006 110.973 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -176.05 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 63.100000000000001 110.849 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -72.18 -41.29 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.200000000000003 110.864 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.71 -43.87 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.3 tm0? -63.86 -31.38 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 64.400000000000006 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -71.27 -34.3 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.941 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 52.200000000000003 111.173 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 7' ' ' GLN . 14.5 mt -72.06 -30.62 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 111.143 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -31.49 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.0 mm? -74.08 -31.15 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 55.100000000000001 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 9' ' ' ALA . 28.5 t -74.99 -30.23 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -74.17 -40.89 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 53.100000000000001 110.909 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.56 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.400000000000006 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.74 -49.14 41.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 111.135 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.3 t -59.38 -47.8 84.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 110.994 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 17' ' ' THR . 18.3 pt-20 -62.83 -40.56 97.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 64.299999999999997 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.91 97.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -30.45 49.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 72.099999999999994 111.055 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -75.01 -25.74 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.099999999999994 110.985 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 28.36 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 73.200000000000003 111.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 58.53 56.22 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 63.5 110.9 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -123.95 46.03 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 65.299999999999997 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -54.02 -36.92 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 111.112 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -39.95 79.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.958 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -40.48 65.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 73.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.62 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 62.399999999999999 111.259 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 71' ' ' LYS . 49.2 tp -61.46 -50.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.5 110.966 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -72.34 -31.07 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 70.299999999999997 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.551 HD13 HD12 ' A' ' 12' ' ' LEU . 2.7 mm? -70.98 -47.54 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.941 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -65.88 -41.52 91.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 111.004 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.47 -30.98 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 110.98 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -48.34 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 61.200000000000003 110.968 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.59 -29.88 66.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 63.200000000000003 111.292 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -74.2 -34.06 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 53.299999999999997 111.183 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.05 -34.67 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.099999999999994 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.63 -34.2 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 71.200000000000003 111.023 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -69.39 -44.11 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 61.5 111.019 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.37 -43.17 99.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 73.299999999999997 111.012 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.93 -30.75 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 74.400000000000006 111.099 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.7 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.299999999999997 111.224 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.61 -48.12 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 50.200000000000003 111.469 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -58.69 -50.25 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.16 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 72.0 111.344 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -98.83 91.28 5.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.353 . . . . 74.299999999999997 110.99 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 148.4 22.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 53.399999999999999 111.019 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -127.96 -168.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 70.299999999999997 110.76 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -62.73 168.3 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 44.200000000000003 110.95 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.78 69.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 70.200000000000003 111.193 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -64.78 -49.69 69.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.995 -0.548 . . . . 72.099999999999994 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.64 -30.89 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 71.299999999999997 111.194 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -72.13 -34.59 68.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.368 -0.378 . . . . 73.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.31 -41.77 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.200000000000003 111.001 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -44.62 95.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.848 0.356 . . . . 71.299999999999997 110.966 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.631 HG22 HD11 ' A' ' 43' ' ' ILE . 14.4 mt -71.12 -46.5 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 74.099999999999994 111.029 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpt85 -58.73 -47.29 85.11 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.07 -0.513 . . . . 75.5 111.031 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -30.0 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 53.100000000000001 111.048 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.17 -35.4 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 74.0 111.029 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.6 -35.62 81.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 111.056 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.21 -50.02 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 54.0 111.265 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -30.0 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.200000000000003 111.117 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.64 -35.97 75.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 75.400000000000006 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.38 -29.85 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 62.399999999999999 111.113 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -33.88 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 61.399999999999999 111.057 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -76.52 -32.04 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 72.099999999999994 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.66 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.400000000000006 111.2 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -46.92 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.883 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -60.98 -29.25 69.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 75.0 111.245 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.98 -49.97 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.299999999999997 111.143 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 ptpt -66.21 -31.4 72.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.126 0.489 . . . . 74.200000000000003 111.03 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.73 -29.07 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.868 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.73 -47.63 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.383 -0.371 . . . . 61.299999999999997 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 71' ' ' LYS . 2.8 pp -71.01 -41.85 70.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.235 -0.438 . . . . 54.399999999999999 111.158 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.7 mtp-105 -60.2 -53.59 55.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 74.099999999999994 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -56.84 16.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.223 -0.444 . . . . 65.200000000000003 110.976 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.522 -0.751 . . . . 74.200000000000003 110.881 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 52.399999999999999 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -156.67 126.12 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 61.200000000000003 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.479 HG22 ' HG2' ' A' ' 8' ' ' LYS . 25.0 m -118.13 128.17 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 60.299999999999997 110.924 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -177.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 75.200000000000003 110.887 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -31.63 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.299999999999997 111.023 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.89 -44.64 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 70.200000000000003 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.88 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.8 mm100 -67.46 -30.8 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 74.299999999999997 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HG2' HG22 ' A' ' 3' ' ' THR . 12.3 mmtt -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -63.74 -34.89 78.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 111.222 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.88 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.2 mt -67.28 -29.56 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 54.299999999999997 111.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 74.200000000000003 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -76.62 -35.05 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 70.5 111.062 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.8 t -70.71 -30.53 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.099999999999994 111.164 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 -39.13 54.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.299999999999997 111.041 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -72.92 -29.65 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -75.96 -46.05 31.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 111.239 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -58.46 -43.53 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 52.399999999999999 111.069 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.12 -30.85 70.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.299999999999997 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.5 -42.21 65.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.299999999999997 111.111 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.95 -38.85 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -74.93 -22.04 58.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 111.035 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.63 25.29 4.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.48 -0.327 . . . . 75.099999999999994 111.475 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 56.66 40.89 29.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 73.099999999999994 111.033 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -115.23 46.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.099999999999994 110.881 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -52.63 -30.86 33.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -47.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 64.400000000000006 110.898 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -37.86 72.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 63.5 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -32.05 68.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 111.142 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.38 -44.71 78.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.52 -32.68 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.4 mm? -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.200000000000003 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.0 m-85 -67.23 -40.78 86.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 62.299999999999997 110.967 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -59.34 -31.37 69.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 72.5 111.027 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.83 -41.98 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 72.299999999999997 111.046 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.71 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 72.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -64.18 -49.47 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 72.099999999999994 111.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.71 -30.75 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 73.400000000000006 111.005 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.1 m-85 -74.07 -42.92 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.099999999999994 110.987 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.45 -46.13 91.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 74.299999999999997 111.014 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.6 t60 -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.5 111.011 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -35.62 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 61.399999999999999 111.084 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.742 HD11 ' CG2' ' A' ' 56' ' ' ILE . 9.9 mt -77.97 -44.77 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 64.200000000000003 111.225 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -52.91 63.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.859 -0.61 . . . . 73.400000000000006 111.113 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 11.3 m-85 -76.54 -64.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.200000000000003 110.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.83 79.91 5.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 73.200000000000003 110.933 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.0 122.57 28.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.245 -0.434 . . . . 75.400000000000006 110.957 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -105.23 -166.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 74.400000000000006 110.755 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.62 172.06 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 42.100000000000001 111.031 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -31.49 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 64.299999999999997 111.058 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -63.08 -45.21 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.977 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.9 -44.05 56.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 63.200000000000003 111.094 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -59.24 -48.79 80.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.400000000000006 111.054 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.71 -40.17 91.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 72.200000000000003 111.0 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -60.02 -46.79 88.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 32.299999999999997 111.1 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' A' ' 43' ' ' ILE . 10.8 mt -70.95 -46.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.398 -0.365 . . . . 74.200000000000003 111.195 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.4 tpt85 -59.66 -37.35 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.200000000000003 111.007 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.85 -30.75 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.0 111.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -40.02 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 61.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.97 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.7 t -65.66 -49.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.400000000000006 111.257 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.7 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 63.5 111.147 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -70.05 -36.13 74.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 73.400000000000006 110.95 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.91 -31.03 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 62.5 110.907 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.02 -31.09 61.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 73.099999999999994 110.972 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -46.73 39.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.5 111.011 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.75 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 72.200000000000003 111.255 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.51 -32.37 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 71.299999999999997 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.48 62.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.92 0.39 . . . . 64.5 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.2 -50.05 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 52.200000000000003 111.033 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -39.91 94.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 61.399999999999999 111.083 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -29.57 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -71.56 -50.21 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 63.399999999999999 110.86 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.5 pp -71.74 -39.63 69.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 111.12 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.2 mtt85 -62.15 -52.13 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 62.299999999999997 111.0 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 m -60.25 -44.35 95.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.405 . . . . 63.299999999999997 110.922 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 tttp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.177 -0.916 . . . . 64.299999999999997 110.819 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.879 0.371 . . . . 52.299999999999997 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 m -109.11 128.03 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.864 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 8' ' ' LYS . 17.9 m -75.99 137.03 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 64.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -97.97 171.15 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 53.299999999999997 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -76.16 -32.98 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 50.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.0 -45.56 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 63.100000000000001 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.3 tp60 -62.42 -30.84 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 111.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.5 mttt -69.6 -41.81 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 74.200000000000003 110.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.41 -33.8 76.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 111.184 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.9 mt -70.32 -29.51 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 111.205 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.4 -30.18 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 62.100000000000001 111.073 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -73.51 -44.77 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 73.400000000000006 110.911 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.19 -28.98 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 53.299999999999997 111.281 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.1 m -73.83 -36.99 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 74.200000000000003 110.957 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.299999999999997 110.95 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.05 -47.61 24.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 71.200000000000003 111.33 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 18' ' ' GLU . 5.9 t -58.95 -48.59 80.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 111.121 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.1 -29.94 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 64.299999999999997 110.937 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.28 -44.48 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 63.299999999999997 111.035 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.9 -33.37 56.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 54.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -75.0 -25.58 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 111.034 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.53 27.08 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 50.399999999999999 111.373 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.2 46.34 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 73.200000000000003 111.051 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -121.69 46.19 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 53.299999999999997 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -51.35 -42.83 61.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 65.400000000000006 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -42.59 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 72.400000000000006 110.85 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.59 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.299999999999997 110.836 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.02 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 111.065 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.53 -53.5 55.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -66.82 -34.77 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.739 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.5 mm? -70.91 -35.68 72.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.400000000000006 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -76.03 -39.92 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 110.967 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.45 -36.37 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 72.299999999999997 110.976 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.34 -45.56 83.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.200000000000003 111.076 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.6 -37.69 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 72.5 111.253 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -65.93 -31.21 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.148 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -70.06 -35.42 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -72.67 -39.67 66.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.039 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -62.85 -50.11 72.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.200000000000003 110.976 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -58.88 -44.39 91.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 75.5 111.003 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -62.55 -30.62 71.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 74.400000000000006 111.057 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.099999999999994 111.231 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 40' ' ' LEU . 11.1 mt -76.76 -51.47 19.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.904 -0.589 . . . . 75.200000000000003 111.122 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -53.3 59.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 65.200000000000003 110.971 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -69.95 -64.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 111.219 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.1 83.03 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 74.200000000000003 111.017 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.06 118.07 22.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 35.200000000000003 111.141 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -100.08 -167.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 64.5 110.773 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -63.11 171.72 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 70.200000000000003 110.715 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.17 -36.18 74.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.947 -0.569 . . . . 52.100000000000001 111.003 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.96 88.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 74.299999999999997 110.853 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.95 -43.43 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.106 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -60.75 -43.04 98.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.14 -40.68 71.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.265 -0.425 . . . . 65.299999999999997 110.949 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -60.02 -44.49 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 71.099999999999994 110.906 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 43' ' ' ILE . 7.6 mt -71.16 -43.3 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 65.299999999999997 111.005 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.7 tpt85 -59.46 -42.03 91.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 63.5 110.967 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.94 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 54.399999999999999 111.147 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 21.6 mtpt -73.84 -34.96 64.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.0 111.066 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.87 -40.22 91.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 111.057 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.3 -37.05 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.265 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.38 -39.09 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 74.299999999999997 110.965 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 30.7 m-85 -71.07 -41.77 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 71.099999999999994 110.987 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD23 HG11 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -60.14 -39.94 88.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 75.299999999999997 111.075 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -34.65 74.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 72.400000000000006 110.999 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 73.099999999999994 111.014 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.22 -30.08 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.23 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -44.08 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.400000000000006 111.153 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -29.79 67.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 73.099999999999994 111.092 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 67' ' ' ALA . 59.3 mt -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.5 111.018 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -68.74 -43.52 75.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 63.100000000000001 111.092 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -29.17 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.909 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -68.65 -50.29 52.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 62.100000000000001 111.134 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.9 -29.99 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 63.399999999999999 111.081 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -54.85 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 63.100000000000001 110.809 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -58.15 -58.25 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.326 -0.845 . . . . 71.5 110.968 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.777 0.322 . . . . 73.5 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 p -90.32 130.76 36.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 62.200000000000003 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -81.48 161.38 23.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 74.200000000000003 110.91 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -127.42 179.11 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.909 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -78.07 -36.8 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.9 mm? -69.99 -41.0 74.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.932 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -44.17 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.5 mttm -62.02 -42.48 99.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 72.299999999999997 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.16 -47.95 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 51.200000000000003 111.203 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.1 mt -64.57 -29.78 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 55.299999999999997 111.175 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.27 -30.63 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.299999999999997 110.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.4 mm? -75.05 -45.73 39.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.965 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -30.27 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 41.100000000000001 111.209 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -69.7 -44.49 70.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 111.063 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -73.0 -27.24 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 111.089 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -74.55 -46.66 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 70.099999999999994 111.296 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.0 t -63.77 -47.26 81.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.979 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.88 -33.02 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 71.400000000000006 110.984 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.44 -46.09 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.200000000000003 110.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.97 -32.02 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 74.200000000000003 111.079 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.03 -25.54 58.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 64.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.51 26.29 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 25.399999999999999 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttp 56.8 55.56 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 64.200000000000003 111.005 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -124.04 46.15 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.52 -30.68 21.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 70.400000000000006 111.239 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.89 -51.42 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.099999999999994 110.821 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.32 70.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.22 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -76.07 -33.91 59.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 111.002 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.07 -32.03 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.099999999999994 110.961 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.748 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.94 -49.5 17.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 71.299999999999997 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -59.45 -36.54 76.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.092 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.13 -36.94 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 111.053 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -66.54 -34.2 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 53.5 111.219 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -71.42 -30.38 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 71.299999999999997 111.193 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.04 -34.8 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.998 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -73.0 -34.12 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 12.7 m-85 -69.64 -44.02 71.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.400000000000006 111.028 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 43' ' ' ILE . 9.9 mt -64.03 -46.1 85.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 74.099999999999994 110.977 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -62.02 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.46 82.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 30.5 111.141 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.3 mt -73.06 -42.26 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.25 -0.432 . . . . 73.099999999999994 111.139 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -43.98 94.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.99 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -90.53 -64.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.99 0.424 . . . . 75.299999999999997 110.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.59 92.82 9.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.733 -0.667 . . . . 72.299999999999997 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.1 134.59 38.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.015 -0.538 . . . . 55.5 111.176 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.6 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.56 -168.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 74.099999999999994 110.841 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -62.91 170.19 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 71.5 111.005 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -38.35 76.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 73.299999999999997 111.06 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.86 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.002 -0.544 . . . . 65.099999999999994 110.924 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -35.16 63.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 70.400000000000006 111.015 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -67.31 -38.84 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 63.299999999999997 111.122 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.44 -39.6 77.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.964 -0.562 . . . . 75.5 110.979 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -59.58 -46.95 87.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 73.099999999999994 110.977 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 9.9 mt -71.31 -34.74 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 64.099999999999994 111.092 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.804 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.2 tpt180 -65.24 -40.91 94.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 74.0 111.065 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.99 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 62.0 111.088 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -66.18 -50.96 62.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 75.200000000000003 111.14 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -60.14 -34.58 73.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 44.200000000000003 111.112 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 57' ' ' ARG . 33.8 t -67.0 -36.06 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 75.400000000000006 111.234 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.05 -36.29 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.299999999999997 111.118 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -70.34 -36.02 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.299999999999997 111.089 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.81 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 62.200000000000003 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -30.59 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 64.099999999999994 111.098 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -79.24 -33.67 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 53.5 111.026 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.6 -28.85 67.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 111.294 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.16 -51.48 37.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 61.200000000000003 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -37.09 74.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.299 0.571 . . . . 64.400000000000006 111.265 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 67' ' ' ALA . 17.8 mt -60.13 -45.25 93.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 73.200000000000003 111.048 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.17 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 55.5 110.932 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -29.03 69.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 73.0 111.081 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.59 -49.23 27.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 111.066 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -72.45 -29.22 63.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.521 -0.309 . . . . 63.399999999999999 111.24 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 74' ' ' LEU . 3.6 mtt180 -73.3 -36.64 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 74.200000000000003 110.98 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -67.0 -58.93 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 72.0 110.601 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.348 -0.834 . . . . 73.099999999999994 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.842 0.354 . . . . 52.299999999999997 111.199 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 2' ' ' THR . 10.1 t -119.89 113.83 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.299999999999997 110.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -71.15 129.95 40.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 63.299999999999997 110.931 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -179.64 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.100000000000001 110.874 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -75.15 -32.09 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.099999999999994 110.826 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.72 -33.34 66.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.7 tp60 -72.53 -31.12 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.938 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -72.71 -38.27 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.46 -35.04 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 52.200000000000003 111.067 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.5 mt -71.91 -30.41 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 62.200000000000003 111.187 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -31.94 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 60.5 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -73.29 -32.61 64.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.400000000000006 110.953 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.1 t -75.67 -30.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 73.400000000000006 111.099 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -70.63 -41.79 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 71.400000000000006 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -73.03 -29.87 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.937 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.47 -48.96 36.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 62.299999999999997 111.244 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.8 t -58.97 -46.79 87.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 71.200000000000003 111.028 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' THR . 11.9 pt-20 -64.82 -37.44 87.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.5 110.975 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.04 -45.53 88.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 61.399999999999999 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -33.01 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 74.299999999999997 111.045 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.66 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 111.009 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 27.56 3.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 74.299999999999997 111.394 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.38 50.36 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 64.099999999999994 110.95 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -120.99 46.1 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 70.099999999999994 110.881 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -53.11 -32.15 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 73.400000000000006 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -50.48 48.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.299999999999997 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -67.74 -39.51 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 72.5 110.836 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.93 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.5 111.098 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.82 -43.41 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -35.85 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 110.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.1 mm? -66.71 -48.27 69.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.200000000000003 110.955 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.702 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.7 m-85 -64.61 -41.51 96.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 70.200000000000003 110.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.988 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -71.37 -39.69 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.099999999999994 111.045 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -62.73 -29.08 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 65.5 111.284 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -74.85 -54.12 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 71.099999999999994 111.299 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.15 -35.89 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -66.12 -31.08 71.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 75.400000000000006 110.955 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -74.05 -43.44 57.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.951 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.76 -43.61 94.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.200000000000003 111.049 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -65.03 -30.26 71.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 71.099999999999994 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.29 -34.54 74.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.219 -0.446 . . . . 61.299999999999997 111.018 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 HG22 ' A' ' 56' ' ' ILE . 20.6 mt -75.88 -47.53 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 33.299999999999997 111.22 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -52.4 65.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.200000000000003 110.959 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.39 -64.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 55.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -95.15 83.88 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 71.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.09 116.19 24.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.919 -0.582 . . . . 73.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -98.85 -167.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 73.200000000000003 110.824 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.28 172.59 1.85 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.085 -0.507 . . . . 54.5 110.945 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.45 -35.03 73.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 74.5 110.786 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -60.66 -49.99 75.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 64.400000000000006 110.981 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.23 -35.41 63.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 71.5 110.943 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -67.0 -37.1 83.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.379 . . . . 71.299999999999997 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -74.08 -36.97 64.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 111.073 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -64.53 -44.87 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 73.200000000000003 111.055 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.566 HG22 HD11 ' A' ' 43' ' ' ILE . 7.0 mt -70.04 -41.65 79.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 121.159 0.504 . . . . 63.5 111.376 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -59.7 -47.49 85.42 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.858 -0.61 . . . . 74.299999999999997 111.105 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.42 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 64.400000000000006 111.074 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -67.71 -35.8 79.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 65.5 110.906 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.54 -35.36 78.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 72.400000000000006 111.067 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.7 -38.05 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 74.099999999999994 111.168 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -41.24 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 111.048 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 22.9 m-85 -66.61 -35.98 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.099999999999994 110.998 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.97 -30.19 68.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 71.400000000000006 111.039 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -30.12 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 72.200000000000003 111.126 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -31.94 53.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 62.299999999999997 111.035 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.24 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 74.400000000000006 111.213 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -41.34 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 75.299999999999997 110.921 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.74 78.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 75.099999999999994 111.073 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.58 -41.94 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.400000000000006 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.0 -46.5 77.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.299999999999997 110.963 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -28.95 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.099999999999994 111.026 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -76.76 -49.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 74.5 111.194 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.64 -30.95 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 75.5 111.34 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -79.16 -46.94 16.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.923 0.392 . . . . 73.200000000000003 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 t -60.44 -38.66 84.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 72.099999999999994 110.836 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.182 -0.913 . . . . 71.299999999999997 110.823 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.671 0.272 . . . . 54.299999999999997 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.8 p -100.31 135.23 42.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.400000000000006 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m -137.55 160.94 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m -71.83 140.79 49.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -76.9 -33.3 57.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.099999999999994 110.961 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.92 -43.99 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 54.299999999999997 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.5 tp60 -66.41 -33.17 75.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.09 -32.22 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.898 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.82 -34.79 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 53.299999999999997 111.187 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.1 mt -72.95 -29.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 111.115 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -30.31 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.299999999999997 111.102 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.4 mm? -72.81 -33.94 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 61.399999999999999 111.072 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 ' HB1' ' A' ' 35' ' ' ALA . 16.3 m -79.98 -30.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 65.200000000000003 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.8 m -72.52 -35.74 68.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.200000000000003 110.951 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.02 62.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.048 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.51 -47.63 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.200000000000003 111.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -58.43 -43.4 88.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 70.5 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.05 -30.58 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 61.299999999999997 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -37.55 62.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.100000000000001 110.94 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.95 -47.99 70.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 61.299999999999997 110.991 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.28 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 64.200000000000003 111.245 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.71 23.61 5.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.561 -0.291 . . . . 72.5 111.435 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.38 45.71 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 53.100000000000001 111.057 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -124.06 46.11 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 65.400000000000006 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.34 -41.62 60.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.66 -37.45 87.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 64.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.12 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.400000000000006 111.236 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 71' ' ' LYS . 63.7 tp -61.72 -51.21 69.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 55.200000000000003 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -32.26 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.7 mm? -71.04 -43.13 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 65.299999999999997 111.008 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.2 m-85 -70.01 -46.18 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 74.099999999999994 111.036 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.22 -33.44 70.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.299999999999997 111.089 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.66 -37.51 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 64.299999999999997 111.07 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -65.39 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 111.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.88 -30.48 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.200000000000003 111.217 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.04 -39.22 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 74.099999999999994 111.025 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.61 -32.53 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 55.299999999999997 111.005 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.06 -44.36 69.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 71.200000000000003 110.975 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -60.03 -35.47 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 63.399999999999999 110.972 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -73.47 -30.75 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.399999999999999 110.926 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.39 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 73.400000000000006 111.119 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.4 mt -76.1 -47.96 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 61.299999999999997 111.069 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -59.68 -52.71 64.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 73.200000000000003 111.045 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -74.54 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 74.200000000000003 111.276 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -94.15 83.17 4.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.65 113.66 24.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.091 -0.504 . . . . 71.400000000000006 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -91.98 -169.31 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -63.32 170.43 3.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.77 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.3 -37.96 76.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.373 -0.376 . . . . 73.299999999999997 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -50.01 75.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 63.5 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.12 -35.97 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 72.299999999999997 111.057 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.36 96.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 65.5 111.09 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -36.97 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 75.400000000000006 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.83 97.6 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.261 -0.427 . . . . 70.400000000000006 111.06 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.05 -44.76 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 71.299999999999997 111.146 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tpt85 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.454 -0.339 . . . . 72.200000000000003 111.096 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.5 70.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 61.200000000000003 111.212 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -69.19 -38.98 78.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.200000000000003 111.073 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.89 -33.81 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 43.200000000000003 111.03 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.65 -38.4 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 72.099999999999994 111.248 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -36.48 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 71.400000000000006 111.075 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -70.95 -36.1 72.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 75.5 111.077 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.24 -36.02 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 55.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -29.21 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 71.400000000000006 111.152 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmm-85 -77.69 -39.73 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 75.200000000000003 111.013 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.47 -40.01 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 73.299999999999997 111.298 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.83 -32.57 71.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.247 -0.433 . . . . 74.299999999999997 111.043 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.77 61.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 70.299999999999997 111.012 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 67' ' ' ALA . 18.4 mt -71.22 -46.57 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 111.038 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.73 -31.77 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 44.100000000000001 111.079 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -29.78 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.400000000000006 110.583 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -73.23 -48.42 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.481 -0.327 . . . . 73.400000000000006 111.042 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -69.64 -41.0 76.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.378 -0.373 . . . . 71.200000000000003 111.067 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.9 mtt180 -58.41 -42.26 86.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 72.200000000000003 111.072 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -67.8 -44.95 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 70.400000000000006 111.079 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.221 -0.895 . . . . 75.299999999999997 110.983 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.756 0.312 . . . . 74.400000000000006 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t -134.88 130.39 35.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.889 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.2 p -82.98 143.62 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 61.299999999999997 110.96 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 177.58 6.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -78.02 -36.62 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.200000000000003 110.94 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.98 -36.07 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 62.299999999999997 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -72.05 -30.88 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.5 mmtt -71.13 -43.58 67.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 65.5 110.913 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.604 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.64 -38.79 82.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 51.5 111.287 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mt -69.84 -29.86 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 111.166 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -30.1 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 71.400000000000006 110.983 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -74.79 -31.73 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.934 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ALA . 30.4 t -78.69 -30.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 75.5 111.085 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 m -71.63 -37.28 70.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 54.299999999999997 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.16 64.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.001 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.31 -46.69 48.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 65.099999999999994 111.213 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -59.67 -45.67 91.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 42.399999999999999 110.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.38 -32.29 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 71.5 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -39.81 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.988 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -38.48 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 63.100000000000001 111.032 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.46 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 73.400000000000006 111.042 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.19 25.86 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 52.100000000000001 111.355 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 56.89 48.4 16.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 75.5 111.065 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.34 46.08 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -53.85 -34.13 58.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 64.5 111.058 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.2 -45.09 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 55.299999999999997 110.828 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -39.68 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 75.400000000000006 110.826 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.07 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.299999999999997 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 71' ' ' LYS . 3.6 tp -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 70.400000000000006 110.869 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.34 64.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -70.77 -45.14 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.099999999999994 110.898 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.633 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -67.84 -41.85 82.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.965 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -62.58 -32.74 73.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.0 -41.64 67.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 72.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.19 -33.97 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.0 111.244 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 64' ' ' LEU . 26.2 t -69.76 -33.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 50.299999999999997 111.119 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.1 -34.06 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -72.91 -30.89 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 65.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -72.34 -43.88 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 53.200000000000003 110.992 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.66 -45.8 85.19 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.2 -0.454 . . . . 71.5 110.977 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 60.5 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.88 81.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 44.200000000000003 111.035 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 56' ' ' ILE . 13.9 mt -73.31 -44.31 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 111.12 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -52.61 64.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 74.099999999999994 111.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.16 -63.85 1.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.9 -0.591 . . . . 73.5 111.234 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.22 86.09 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.76 118.69 30.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 52.399999999999999 111.148 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.648 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.01 -168.04 1.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.485 -0.325 . . . . 75.299999999999997 110.85 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 175.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 54.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -34.6 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 64.200000000000003 110.884 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -52.3 65.84 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.07 -0.514 . . . . 73.5 110.808 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.94 -32.19 63.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 72.200000000000003 111.21 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -70.1 -46.22 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.012 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -37.09 78.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.989 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -62.09 -47.73 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 43' ' ' ILE . 12.5 mt -71.1 -37.6 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 63.100000000000001 111.092 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.3 tpt85 -61.49 -40.52 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 71.200000000000003 111.117 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 71.200000000000003 111.354 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -50.92 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 65.299999999999997 111.105 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.1 p -58.92 -38.21 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 65.200000000000003 111.116 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 57' ' ' ARG . 37.0 t -62.44 -36.08 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 74.299999999999997 111.173 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -73.56 -36.2 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 70.299999999999997 111.057 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.0 -35.97 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 62.200000000000003 111.048 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 36' ' ' VAL . 4.2 mt -65.48 -41.45 93.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 51.399999999999999 111.058 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 55.200000000000003 111.079 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 111.01 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -29.92 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 111.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -32.58 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.908 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -30.23 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 52.399999999999999 110.862 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.3 mt -73.07 -36.92 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 74.400000000000006 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' A' ' 29' ' ' LEU . 11.5 tttt -68.77 -41.84 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.083 0.468 . . . . 63.200000000000003 110.921 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -30.56 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 75.200000000000003 110.877 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.49 -50.23 27.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 72.099999999999994 110.951 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -70.23 -31.18 68.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.148 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' N ' HD12 ' A' ' 74' ' ' LEU . 4.3 mtt180 -69.7 -38.92 77.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 73.200000000000003 110.795 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 63.399999999999999 110.748 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.198 -0.906 . . . . 75.200000000000003 110.91 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.806 0.336 . . . . 73.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 m -149.54 135.59 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -106.9 133.01 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 72.099999999999994 110.891 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 m -101.12 -178.11 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 110.876 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -74.91 -31.22 61.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 61.399999999999999 110.904 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.48 -45.22 55.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -65.57 -30.58 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.0 110.967 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.7 mttp -71.07 -36.78 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.96 -33.22 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.200000000000003 111.193 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 7' ' ' GLN . 17.5 mt -72.49 -29.68 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.200000000000003 111.114 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -30.08 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.200000000000003 111.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.72 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.5 mm? -77.0 -31.38 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 74.5 111.094 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 9' ' ' ALA . 26.2 t -75.84 -29.66 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 111.284 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 m -77.5 -35.94 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 65.400000000000006 111.055 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.16 -45.28 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 111.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -59.22 -46.13 89.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 71.5 110.966 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.09 -38.66 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.299999999999997 111.028 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.67 -40.55 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 111.038 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -36.78 63.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 71.200000000000003 111.031 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -22.2 58.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 42.399999999999999 111.176 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.01 26.29 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.443 -0.344 . . . . 71.400000000000006 111.425 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 56.49 49.43 14.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 75.099999999999994 111.094 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -123.97 46.19 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.299999999999997 110.804 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -53.19 -30.31 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 65.200000000000003 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -47.04 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 71.400000000000006 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -41.15 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.31 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 61.399999999999999 111.161 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD21 ' HG3' ' A' ' 71' ' ' LYS . 10.6 tp -63.84 -43.17 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.953 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.73 -34.71 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.5 110.862 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -67.22 -44.17 80.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.2 m-85 -67.13 -42.59 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.919 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.63 -33.01 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 70.200000000000003 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -71.79 -42.03 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.400000000000006 111.017 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.35 -35.64 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.299999999999997 111.248 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 32' ' ' TYR . 34.4 t -71.15 -32.27 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 72.400000000000006 111.18 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.09 -36.09 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -73.02 -33.22 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 111.038 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 8.6 m-85 -70.6 -51.28 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.400000000000006 110.997 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -59.28 -46.0 89.73 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.27 -0.423 . . . . 63.200000000000003 111.007 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.1 t60 -62.93 -30.9 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.955 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.23 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 53.399999999999999 110.976 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 56' ' ' ILE . 11.5 mt -77.87 -43.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 63.299999999999997 111.228 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.9 63.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 72.099999999999994 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 6.5 m-85 -77.68 -64.22 1.2 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 73.400000000000006 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.54 85.36 6.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 110.946 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.83 124.48 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 60.299999999999997 111.13 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.16 -166.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 73.400000000000006 110.833 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 170.65 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.200000000000003 110.693 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.19 -31.06 69.79 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.851 -0.613 . . . . 71.5 111.179 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -50.38 66.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 70.099999999999994 110.912 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -71.57 -35.08 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 74.5 111.239 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -63.58 -48.91 75.48 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.074 -0.512 . . . . 73.5 110.978 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.099999999999994 110.854 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -47.69 84.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 65.400000000000006 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 43' ' ' ILE . 11.8 mt -70.6 -44.36 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 111.063 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 tpt180 -59.85 -42.71 94.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.873 0.368 . . . . 73.299999999999997 111.017 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.73 70.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.281 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.93 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 71.400000000000006 110.95 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -66.77 -32.94 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 63.100000000000001 110.932 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -66.38 -46.6 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 61.200000000000003 111.207 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.61 -42.48 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 71.5 110.935 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -59.49 -35.94 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 61.5 111.012 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.95 -37.03 78.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 55.200000000000003 111.023 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 111.0 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.18 -47.97 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.200000000000003 111.015 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.46 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 111.2 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.54 -39.64 85.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.099999999999994 111.208 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -39.4 73.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.291 0.567 . . . . 73.200000000000003 111.145 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.35 -40.25 95.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 71.400000000000006 111.006 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.79 -48.01 64.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 72.200000000000003 110.979 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -29.35 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.157 -0.474 . . . . 41.5 110.758 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -67.92 -50.34 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.014 0.435 . . . . 73.200000000000003 111.013 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -73.88 -32.12 63.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.248 0.547 . . . . 64.299999999999997 111.22 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.49 -32.21 69.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.947 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m -68.38 -50.57 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.299999999999997 110.669 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.474 -0.774 . . . . 61.299999999999997 110.796 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.788 0.328 . . . . 73.099999999999994 111.228 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -97.46 138.46 34.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 53.399999999999999 110.913 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -72.67 135.97 45.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.914 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -88.97 175.8 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 41.200000000000003 110.88 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -76.56 -34.35 58.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 51.299999999999997 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.32 -43.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 70.299999999999997 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.6 tp60 -68.46 -31.11 70.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.72 -34.5 71.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 62.399999999999999 110.873 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -70.95 -36.22 72.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 61.100000000000001 111.135 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.0 mt -67.84 -30.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 73.299999999999997 111.119 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.06 -30.63 63.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.607 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.1 mm? -72.55 -32.15 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.400000000000006 110.945 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.5 t -76.8 -30.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 60.299999999999997 111.203 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -70.82 -41.95 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 54.299999999999997 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -73.1 -28.54 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.0 111.012 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.97 -49.06 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 72.200000000000003 111.187 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -58.74 -46.71 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 55.399999999999999 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.27 -35.12 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 62.299999999999997 110.982 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -44.93 86.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 74.200000000000003 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.01 -30.08 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -27.31 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.914 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 26.43 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 62.100000000000001 111.373 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 tttt 57.1 46.16 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 64.099999999999994 111.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.97 45.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.299999999999997 110.936 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -54.08 -30.37 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.400000000000006 111.133 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.9 -50.28 50.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.17 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.299999999999997 110.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.67 81.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.299999999999997 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.24 -46.51 89.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 111.017 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -70.89 -33.5 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.914 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -76.05 -45.63 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 71.5 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.17 -33.73 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.200000000000003 111.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.77 -50.17 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.986 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -57.93 -29.81 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 64.400000000000006 111.226 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.0 t -71.82 -36.29 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 55.5 111.092 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.03 -38.69 75.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.100000000000001 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.83 -35.83 81.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 75.200000000000003 110.955 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -68.97 -51.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 73.099999999999994 110.985 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 43' ' ' ILE . 36.1 mt -59.5 -38.97 82.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 111.045 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.56 -30.69 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 51.399999999999999 110.964 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.29 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.299999999999997 111.036 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 56' ' ' ILE . 13.4 mt -71.54 -45.28 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 63.100000000000001 111.205 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -50.86 72.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.400000000000006 111.058 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -79.6 -64.16 1.25 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.139 0.495 . . . . 63.100000000000001 111.408 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.71 85.97 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 72.5 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.21 108.94 19.9 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.318 -0.401 . . . . 72.299999999999997 111.054 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -89.17 -169.09 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.977 0.418 . . . . 74.299999999999997 110.777 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 171.12 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 53.100000000000001 110.915 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.11 -35.92 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.879 0.371 . . . . 73.400000000000006 110.775 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -63.05 -49.86 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 72.400000000000006 111.04 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.91 -36.43 64.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 62.299999999999997 111.114 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -69.57 -32.75 71.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 111.03 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.78 -42.35 61.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.893 -0.594 . . . . 74.299999999999997 111.023 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -60.01 -40.77 90.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 74.0 110.952 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 HD11 ' A' ' 43' ' ' ILE . 9.4 mt -70.17 -40.34 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 74.400000000000006 111.043 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.1 tpt85 -65.07 -38.08 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.451 -0.341 . . . . 71.200000000000003 111.049 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.22 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 63.5 111.339 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -35.71 61.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 71.400000000000006 110.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.43 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 61.100000000000001 110.978 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -68.04 -44.4 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 111.311 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -74.2 -30.79 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.0 111.071 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.65 -39.15 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 111.041 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.46 -30.29 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 111.074 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 73.400000000000006 111.036 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -80.14 -32.08 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 111.011 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.08 -32.37 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.5 111.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.0 -44.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.285 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.98 -29.39 67.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 75.400000000000006 111.037 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 67' ' ' ALA . 9.2 mt -72.66 -47.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.099999999999994 111.084 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 74' ' ' LEU . 8.5 ptpt -72.66 -34.21 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 111.044 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -28.89 70.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.508 . . . . 74.5 111.41 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.05 -49.79 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 111.523 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -63.72 -43.17 97.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 61.200000000000003 111.672 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.803 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.4 ptp180 -61.67 -31.77 71.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.809 0.338 . . . . 72.099999999999994 111.048 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -54.41 43.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 65.099999999999994 110.987 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.329 -0.843 . . . . 73.299999999999997 110.881 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.839 0.352 . . . . 75.200000000000003 111.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -89.21 137.71 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 61.399999999999999 110.895 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -113.34 104.35 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 54.5 110.883 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -76.82 179.5 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 63.299999999999997 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -31.21 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.94 -33.8 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.200000000000003 110.872 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.7 tp60 -71.96 -34.89 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.299999999999997 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.68 -40.6 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.932 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.96 -39.67 86.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.299999999999997 111.143 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt -67.36 -30.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 111.117 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -30.26 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.966 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.6 mm? -76.47 -31.09 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 72.200000000000003 110.965 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 -30.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 111.132 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.3 m -75.63 -34.77 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 31' ' ' LEU . 3.0 tttm -72.99 -30.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.951 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -45.31 41.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.200000000000003 111.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 t -58.11 -43.86 87.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 63.399999999999999 111.058 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.02 -32.26 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.93 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.18 -38.31 56.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -47.17 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.299999999999997 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -75.15 -17.45 60.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 111.158 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.79 24.13 4.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.514 -0.312 . . . . 52.200000000000003 111.452 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 56.73 44.95 22.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 75.099999999999994 111.17 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -123.93 46.11 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 62.5 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -51.89 -38.64 56.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 62.399999999999999 111.164 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.45 -46.28 90.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.299999999999997 110.81 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -38.93 75.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 70.099999999999994 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.15 -32.82 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 70.299999999999997 111.086 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.9 -48.54 76.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.099999999999994 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -34.18 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.037 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.04 -41.06 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.299999999999997 110.929 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.8 m-85 -68.49 -47.46 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.299999999999997 110.875 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.19 -39.16 81.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.299999999999997 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.14 -32.59 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.935 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.0 -38.46 72.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.099999999999994 111.245 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.4 t -68.99 -32.38 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 111.242 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.69 -34.81 74.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.953 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -73.01 -30.8 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.400000000000006 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.2 m-85 -72.92 -36.3 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.400000000000006 110.936 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -39.31 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 63.100000000000001 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -71.58 -31.44 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 64.099999999999994 110.957 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 74.5 111.011 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.618 HD11 HG22 ' A' ' 56' ' ' ILE . 20.3 mt -75.46 -44.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 51.200000000000003 111.349 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.38 69.68 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.936 -0.574 . . . . 43.299999999999997 110.948 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.32 -64.01 1.27 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.138 -0.483 . . . . 75.099999999999994 111.076 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.62 88.02 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 75.099999999999994 110.919 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.38 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.211 -0.449 . . . . 75.299999999999997 111.129 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -139.37 -169.46 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.871 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -62.86 172.43 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 74.200000000000003 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -37.92 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.533 . . . . 73.299999999999997 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.75 -49.81 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.299999999999997 110.978 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -37.47 64.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.517 -0.31 . . . . 54.5 111.019 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -66.1 -47.23 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.2 -36.99 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.947 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -58.33 -47.28 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 5.9 mt -71.06 -38.84 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 111.024 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -62.66 -41.43 99.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 75.099999999999994 110.926 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.05 70.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.969 -0.56 . . . . 62.200000000000003 111.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -69.07 -34.87 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 63.100000000000001 111.0 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -34.98 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 111.001 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.52 -41.97 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.100000000000001 111.212 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -74.93 -37.97 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 111.104 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.02 -35.99 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.022 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.557 ' HG ' HG11 ' A' ' 36' ' ' VAL . 8.7 mt -70.73 -29.96 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 73.400000000000006 111.084 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -30.02 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 74.400000000000006 111.065 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -73.76 -45.9 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 74.299999999999997 111.078 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -58.65 -29.58 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 40.399999999999999 111.296 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.82 -43.28 62.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 74.200000000000003 110.999 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -30.14 70.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.121 0.486 . . . . 73.299999999999997 111.153 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 67' ' ' ALA . 49.1 mt -69.78 -39.57 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 71.299999999999997 111.049 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -73.0 -42.27 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.085 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -28.92 67.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.998 -0.546 . . . . 72.299999999999997 111.248 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.05 -49.93 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.352 -0.386 . . . . 64.400000000000006 111.53 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -63.8 -38.75 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.946 0.35 . . . . 73.400000000000006 111.946 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.3 ptp180 -68.55 -30.4 69.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 72.400000000000006 110.994 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -62.1 -49.91 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.778 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.177 -0.916 . . . . 70.200000000000003 110.861 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.822 0.344 . . . . 55.100000000000001 111.15 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -113.56 120.5 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.939 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 4' ' ' SER . 27.3 m -72.68 161.03 31.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.913 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 3' ' ' THR . 0.6 OUTLIER -136.89 169.11 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.864 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -35.73 53.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 61.399999999999999 110.955 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.91 -37.91 64.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.200000000000003 110.97 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -68.2 -32.96 73.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 74.200000000000003 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmtt -71.86 -32.55 67.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 75.400000000000006 110.924 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.703 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -74.7 -39.83 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 50.5 111.122 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.15 -30.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.5 111.209 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.72 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 62.299999999999997 111.032 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -73.14 -33.66 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 75.299999999999997 110.93 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.0 m -76.39 -30.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 62.200000000000003 111.187 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 m -71.86 -37.49 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.099999999999994 111.008 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -30.23 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 111.034 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.77 -47.35 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.400000000000006 111.233 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 75.099999999999994 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.8 -35.54 81.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 70.299999999999997 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.9 -38.3 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.916 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD2' HD21 ' A' ' 70' ' ' LEU . 3.9 t0 -53.96 -39.26 65.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 75.400000000000006 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -75.08 -21.21 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.1 23.96 5.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.502 -0.317 . . . . 73.400000000000006 111.535 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.7 40.78 29.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 60.299999999999997 111.147 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.29 46.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -51.77 -39.16 58.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 64.5 111.192 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.53 -43.47 89.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -39.61 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -34.73 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.299999999999997 111.167 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.5 -43.68 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.299999999999997 110.987 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -35.52 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.003 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -70.97 -34.43 71.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 111.02 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.9 m-85 -73.01 -46.7 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 72.099999999999994 110.958 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.94 -36.47 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.28 -40.16 89.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -64.17 -30.2 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 74.099999999999994 111.244 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.17 -32.83 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 61.299999999999997 111.288 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.02 -37.88 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.5 111.008 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -72.89 -32.54 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 111.059 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 4.7 m-85 -72.48 -42.25 65.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 54.100000000000001 111.005 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 43' ' ' ILE . 18.7 mt -64.79 -46.0 83.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 111.069 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.87 -36.21 82.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 71.5 110.947 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.79 98.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 71.299999999999997 111.021 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.8 HD11 HG22 ' A' ' 56' ' ' ILE . 7.5 mt -67.85 -51.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 64.400000000000006 111.21 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 72.299999999999997 111.079 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -74.02 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 74.400000000000006 111.202 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.09 88.54 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 74.200000000000003 110.989 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.13 96.91 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 53.100000000000001 111.171 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -77.41 -168.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 73.299999999999997 110.698 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -63.08 175.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 64.299999999999997 110.706 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.86 -31.27 72.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.888 -0.596 . . . . 73.400000000000006 111.048 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -47.99 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.099999999999994 110.956 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.89 -44.96 53.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 73.400000000000006 111.309 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -59.71 -33.03 71.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.132 -0.486 . . . . 72.400000000000006 110.916 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -74.09 -38.18 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 72.099999999999994 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -65.61 -40.1 92.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 65.200000000000003 110.936 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.8 HG22 HD11 ' A' ' 43' ' ' ILE . 13.3 mt -71.18 -35.78 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 111.081 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -68.92 -42.96 76.1 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.2 -0.455 . . . . 53.299999999999997 111.161 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.15 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.400000000000006 111.38 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -70.43 -34.96 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 73.299999999999997 110.994 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.7 m -62.56 -37.36 85.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.299999999999997 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.63 -38.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.400000000000006 111.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.88 -35.75 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.400000000000006 111.039 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -70.85 -36.42 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 72.400000000000006 111.007 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.2 mt -70.77 -29.68 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.200000000000003 111.071 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.61 -32.74 66.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 73.299999999999997 110.957 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -32.02 60.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 63.200000000000003 110.983 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.44 -29.92 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 70.299999999999997 111.183 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -70.88 -45.56 64.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 74.200000000000003 111.018 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -62.78 -30.42 71.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.409 . . . . 65.099999999999994 111.058 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 67' ' ' ALA . 53.3 mt -66.26 -49.99 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.979 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 72.5 110.914 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -30.52 69.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.099999999999994 111.369 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.4 -50.52 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 64.400000000000006 110.983 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -69.6 -32.73 71.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.072 -0.513 . . . . 73.0 111.399 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 26.5 mtp180 -68.12 -47.73 67.34 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.009 0.433 . . . . 73.400000000000006 110.868 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -50.76 69.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 70.200000000000003 110.804 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 tttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.278 -0.867 . . . . 73.400000000000006 110.898 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.817 0.341 . . . . 63.5 111.166 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -72.55 126.09 29.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.467 . . . . 71.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.5 p -70.62 133.46 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.926 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.8 p -92.72 -176.64 4.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 62.399999999999999 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -74.33 -31.85 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 54.100000000000001 110.874 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.94 -41.49 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.614 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.07 -31.14 71.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 111.01 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.4 mttm -70.98 -37.1 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.400000000000006 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -67.92 -34.41 76.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 53.399999999999999 111.183 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.5 mt -72.27 -30.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 61.299999999999997 111.142 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -31.11 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.299999999999997 110.977 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -71.93 -37.77 69.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 110.931 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.04 -29.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 111.187 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.75 -41.4 71.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 65.400000000000006 110.957 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -29.95 63.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.200000000000003 110.93 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.04 -48.59 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 43.399999999999999 111.21 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' GLU . 6.8 t -59.36 -46.37 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.015 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' THR . 12.8 pt-20 -65.97 -34.03 77.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 64.5 110.898 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -45.55 77.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 73.200000000000003 110.9 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' HD21 ' A' ' 70' ' ' LEU . 5.8 t0 -54.52 -30.07 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 73.099999999999994 111.072 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -27.44 60.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 61.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.08 27.29 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 65.099999999999994 111.32 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 57.18 56.11 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 73.5 111.006 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -123.97 46.14 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 110.879 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.44 -30.0 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.096 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.35 -52.22 29.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -35.36 78.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.82 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.200000000000003 111.225 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 71' ' ' LYS . 23.8 tp -62.03 -41.9 98.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.911 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -77.97 -33.33 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.964 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.1 mm? -70.61 -37.87 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 111.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -73.01 -41.11 64.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.82 -30.31 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.999 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.2 -39.5 75.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.299999999999997 111.267 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 32' ' ' TYR . 25.3 t -68.97 -37.54 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 74.400000000000006 111.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.84 -37.36 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 64.299999999999997 111.029 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -67.09 -33.99 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.041 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.1 m-85 -72.13 -38.59 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 111.015 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.08 -39.27 82.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -71.71 -30.89 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 64.400000000000006 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.98 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 54.299999999999997 111.01 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.99 -46.2 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 63.200000000000003 111.103 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -53.1 61.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.247 -0.433 . . . . 62.299999999999997 110.956 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -75.29 -63.9 1.18 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.107 -0.497 . . . . 73.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.22 95.13 8.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 71.099999999999994 111.056 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.43 151.26 19.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.818 0.342 . . . . 61.299999999999997 111.215 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -137.87 -168.07 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 70.299999999999997 110.661 -179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 167.51 4.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.412 -0.358 . . . . 74.299999999999997 111.303 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.89 -38.36 72.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.97 0.414 . . . . 62.100000000000001 110.999 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -48.97 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.200000000000003 110.994 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -34.65 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 73.200000000000003 111.269 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -48.85 51.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.046 -0.525 . . . . 61.200000000000003 111.068 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -37.12 85.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 73.400000000000006 110.851 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -60.21 -43.77 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 74.200000000000003 111.009 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.67 HG22 HD11 ' A' ' 43' ' ' ILE . 10.6 mt -71.26 -40.7 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 73.200000000000003 111.004 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -59.85 -48.16 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 61.200000000000003 111.035 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.79 71.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.275 -0.42 . . . . 73.400000000000006 111.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -70.21 -35.83 74.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 52.100000000000001 110.988 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.38 -36.72 85.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.044 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -64.95 -43.61 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 111.198 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -74.45 -31.15 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.299999999999997 111.093 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.95 -35.99 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.048 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.74 -30.52 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.200000000000003 111.097 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.03 -30.01 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.089 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -32.04 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.099999999999994 111.003 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -70.95 -29.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 51.299999999999997 111.243 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.39 -39.99 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 73.299999999999997 110.948 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.84 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.299999999999997 111.141 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.4 mt -69.56 -49.36 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.099999999999994 111.002 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.6 -31.94 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.200000000000003 111.064 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -29.01 60.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.400000000000006 111.294 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -75.21 -49.89 17.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 64.5 111.208 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -62.59 -44.98 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 64.400000000000006 111.291 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.753 ' N ' HD12 ' A' ' 74' ' ' LEU . 9.3 ptt85 -61.7 -40.34 94.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 64.5 111.078 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.8 p -66.46 -52.85 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 64.200000000000003 110.834 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 54.299999999999997 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.81 0.338 . . . . 72.299999999999997 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.7 p -114.3 130.99 56.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 51.299999999999997 110.873 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -90.33 130.68 36.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 51.200000000000003 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 -176.73 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 53.299999999999997 110.855 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -71.13 -36.82 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 51.5 110.847 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.97 -31.99 63.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -35.22 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.764 ' O ' HD23 ' A' ' 12' ' ' LEU . 24.1 mttp -70.79 -34.1 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.100000000000001 110.926 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.5 -40.23 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 71.200000000000003 111.16 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.92 -35.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 55.100000000000001 111.079 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.71 -31.48 52.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.399999999999999 110.917 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.79 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.5 mm? -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' A' ' 35' ' ' ALA . 27.6 m -80.08 -32.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.299999999999997 111.118 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -68.69 -37.75 79.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.400000000000006 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.47 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.908 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.55 -46.95 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 75.200000000000003 111.144 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -44.16 92.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.959 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.6 -39.54 84.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.5 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.52 -39.19 88.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 71.099999999999994 110.849 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -55.07 -41.78 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 70.200000000000003 111.037 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.06 -18.01 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.099999999999994 111.266 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.334 . . . . 65.099999999999994 111.373 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 57.52 30.11 18.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 64.099999999999994 111.05 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.92 46.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.791 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -53.07 -30.78 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.400000000000006 111.082 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.34 -46.68 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.72 -40.6 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.299999999999997 110.924 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.93 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 111.074 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.6 -49.09 74.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 61.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.948 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 12' ' ' LEU . 2.7 mm? -67.42 -36.91 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 75.400000000000006 110.985 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -75.9 -43.48 45.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -61.35 -40.44 94.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.945 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.099999999999994 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -69.7 -36.55 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 111.143 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HG ' ' A' ' 64' ' ' LEU . 27.6 t -70.32 -34.48 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.400000000000006 111.051 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.35 -35.91 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 55.100000000000001 111.004 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -72.5 -30.85 64.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 72.200000000000003 110.971 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.5 m-85 -69.15 -49.43 56.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 70.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.99 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 63.399999999999999 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -66.29 -30.17 70.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.299999999999997 111.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.86 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 60.299999999999997 111.053 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.853 HD11 HG22 ' A' ' 56' ' ' ILE . 17.3 mt -69.36 -34.02 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 111.341 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -48.22 23.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.016 -0.538 . . . . 63.299999999999997 110.969 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -85.67 -64.07 1.22 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 64.299999999999997 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.89 57.92 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.108 0.48 . . . . 70.099999999999994 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 144.7 56.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.093 -0.503 . . . . 60.200000000000003 110.971 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -134.92 -165.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.462 -0.335 . . . . 74.5 110.755 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 173.43 1.36 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.373 -0.376 . . . . 74.400000000000006 110.768 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -31.24 69.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 50.399999999999999 111.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.77 -46.14 89.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 74.099999999999994 111.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.68 -42.54 61.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 63.200000000000003 111.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -59.21 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 75.400000000000006 110.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.8 -36.75 80.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.017 -0.538 . . . . 71.099999999999994 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -64.32 -48.24 76.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 111.193 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.853 HG22 HD11 ' A' ' 43' ' ' ILE . 8.0 mt -67.55 -42.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 74.200000000000003 111.201 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -59.93 -36.14 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 72.299999999999997 110.943 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.48 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 55.200000000000003 111.126 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -75.0 -44.91 45.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 36' ' ' VAL . 31.9 p -64.79 -41.08 96.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 61.5 111.141 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 p -66.82 -36.07 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 73.299999999999997 111.237 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -41.43 76.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.855 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' HB2' HG22 ' A' ' 36' ' ' VAL . 27.7 m-85 -70.99 -36.63 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 64.099999999999994 111.002 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.81 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.7 mt -59.96 -43.31 95.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 64.099999999999994 111.007 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.74 -38.41 83.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 62.100000000000001 110.97 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -36.5 79.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.200000000000003 110.938 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -65.39 -45.85 82.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.17 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.12 -32.17 70.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.099999999999994 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -67.06 -39.05 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.462 . . . . 53.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' ALA . 2.8 mt -68.57 -39.56 80.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.951 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.58 -33.13 70.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.188 -0.46 . . . . 53.399999999999999 111.271 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.1 -50.31 66.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.943 -0.572 . . . . 74.099999999999994 110.96 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -71.75 -32.72 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.56 . . . . 73.400000000000006 111.027 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -65.19 -43.94 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 53.5 110.911 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -42.73 82.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 50.299999999999997 110.857 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.195 -0.907 . . . . 62.5 110.993 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.872 0.367 . . . . 51.5 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -34.48 64.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.901 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -37.29 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.722 ' O ' HD23 ' A' ' 12' ' ' LEU . 14.9 mttp -67.8 -30.67 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 63.1 111.022 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.69 -34.2 73.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.2 111.193 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -73.05 -34.22 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 55.1 111.147 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -30.75 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.4 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.8 mm? -66.8 -36.56 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 72.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.44 -30.75 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 72.3 111.191 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -71.56 -35.76 70.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 73.4 110.948 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -30.19 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.002 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -74.84 -45.69 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 75.2 111.208 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -58.87 -45.04 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 75.5 111.014 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.72 -36.38 80.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 73.5 110.844 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.958 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD2' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -53.97 -38.46 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 70.2 110.976 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.03 -19.92 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.7 27.49 3.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.513 -0.312 . . . . 65.1 111.4 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tttt 57.38 31.12 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 64.1 111.064 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -109.04 46.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.811 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.93 -34.69 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 64.4 111.101 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.46 -48.08 76.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 70.1 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -40.32 91.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.02 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.1 111.169 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 71' ' ' LYS . 6.6 tp -64.61 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.4 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -78.67 -32.6 47.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.034 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.827 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.6 mm? -71.0 -49.79 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.958 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m-85 -64.91 -39.66 93.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.964 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.96 -40.29 91.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.026 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.07 -42.47 94.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.011 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.771 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.77 -41.12 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.2 111.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.684 HG11 ' HG ' ' A' ' 64' ' ' LEU . 24.7 t -63.54 -31.12 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.245 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -38.33 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.1 111.058 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.05 -32.27 64.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.023 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.0 m-85 -66.32 -53.93 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 70.0 111.047 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.69 -46.07 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.87 -34.31 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.3 111.063 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.79 72.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 60.3 111.147 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.513 HD11 HG22 ' A' ' 56' ' ' ILE . 20.9 mt -77.91 -44.67 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 74.4 111.332 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -52.61 64.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.119 -0.492 . . . . 63.3 111.034 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.08 -64.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.852 0.358 . . . . 64.3 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -87.44 82.51 7.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.035 -0.529 . . . . 70.1 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.19 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.48 -0.327 . . . . 60.2 110.978 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -108.1 -165.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 74.5 110.842 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.71 174.29 1.07 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.318 -0.401 . . . . 74.4 111.169 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.371 -0.377 . . . . 50.4 111.035 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.02 -45.27 93.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 74.1 111.115 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.93 -42.06 61.15 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.087 -0.506 . . . . 63.2 111.277 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -47.44 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 75.4 110.957 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.59 -37.08 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 71.1 110.988 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -63.18 -47.48 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.532 . . . . 72.2 111.063 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG22 HD11 ' A' ' 43' ' ' ILE . 6.4 mt -71.3 -42.02 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 74.2 110.949 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.726 0.298 . . . . 72.3 111.134 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.54 -28.15 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 55.2 111.021 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.98 -46.3 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.1 111.173 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.51 -41.75 96.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 61.5 111.274 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 73.3 111.242 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -39.44 73.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.1 110.993 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -71.01 -36.11 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 64.1 111.046 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HG ' HG11 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -61.91 -36.12 80.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.1 111.04 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 62.1 111.027 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.056 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -58.66 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.26 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.6 -32.04 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 71.1 110.911 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.44 -33.5 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 53.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.441 HD22 ' OD2' ' A' ' 20' ' ' ASP . 69.6 mt -64.87 -36.77 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.037 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.1 tttt -66.82 -46.88 73.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.066 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -29.21 70.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 53.4 110.963 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -72.2 -49.56 34.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.213 -0.449 . . . . 74.1 111.111 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -72.46 -34.33 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' N ' HD12 ' A' ' 74' ' ' LEU . 1.5 mtt-85 -65.39 -46.33 80.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.107 -0.497 . . . . 53.5 111.058 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.022 -0.535 . . . . 50.3 111.046 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 73.4 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -49.32 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 65.1 110.948 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.34 -33.19 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 61.3 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.8 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 mttt -69.29 -39.17 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.944 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -68.52 -36.87 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 54.3 111.251 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.81 -31.41 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -30.44 39.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 75.2 110.971 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.836 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.6 mm? -70.27 -45.28 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 65.5 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' A' ' 35' ' ' ALA . 17.1 m -65.14 -28.83 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 61.3 111.326 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -75.22 -33.89 61.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 64.1 111.004 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.8 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.1 110.975 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.49 -46.95 29.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 63.0 111.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -57.91 -46.74 84.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 72.0 111.034 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.28 -42.67 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.1 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.24 -42.22 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.837 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.89 -33.19 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.974 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.27 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 44.3 111.025 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 25.96 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 71.1 111.474 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 38.69 29.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.376 -0.375 . . . . 64.5 111.095 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -107.97 46.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 50.5 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -52.17 -30.34 26.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.096 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 54.1 110.923 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.05 -38.86 66.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 73.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.49 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.206 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -49.83 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -67.79 -36.0 79.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.953 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 71.4 111.048 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.562 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -74.33 -54.11 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 73.1 110.928 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.61 -30.82 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 73.0 111.027 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 72.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -70.98 -30.22 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 61.1 111.226 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.784 HG11 ' HG ' ' A' ' 64' ' ' LEU . 25.3 t -76.45 -31.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.12 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.33 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.088 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -73.0 -40.43 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.063 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.2 m-85 -63.19 -44.15 96.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 71.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.62 -42.93 98.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 60.3 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.93 -30.72 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.941 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.17 81.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 71.5 111.066 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 56' ' ' ILE . 14.7 mt -72.87 -44.22 58.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.056 -0.52 . . . . 61.4 111.063 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -52.8 63.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.88 0.372 . . . . 53.2 111.083 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -76.36 -64.23 1.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.894 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.35 89.84 6.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.579 . . . . 72.5 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.77 124.53 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 50.4 111.273 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 m-70 -106.41 -169.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 70.3 110.95 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -63.34 171.73 2.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 55.4 110.764 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.89 -36.22 76.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.317 -0.401 . . . . 73.4 110.817 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.33 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 73.3 111.06 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -34.35 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 54.3 111.242 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -69.44 -33.6 73.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 74.4 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.0 -42.22 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.1 110.916 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -44.59 93.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 72.1 111.152 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 43' ' ' ILE . 7.2 mt -70.53 -35.14 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.562 . . . . 74.1 111.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 tpt85 -66.21 -41.39 90.21 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 115.944 -0.571 . . . . 72.1 111.099 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.07 -27.53 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 65.5 111.366 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -67.43 -50.9 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 63.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.0 p -59.35 -35.75 74.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 72.3 111.132 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 57' ' ' ARG . 35.4 t -64.3 -36.82 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 62.2 111.29 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -35.94 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 51.1 111.017 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -71.07 -36.12 72.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 75.4 111.03 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.784 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.2 mt -64.83 -30.2 71.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.027 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.31 70.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 62.5 111.059 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -41.53 79.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.058 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -60.88 -45.52 94.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 30.1 111.227 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.84 -32.27 69.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.929 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -29.43 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.923 0.392 . . . . 64.4 111.254 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.43 -50.02 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.5 111.056 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -65.01 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.3 111.078 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -29.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 74.4 111.079 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.85 -49.52 14.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 64.3 111.157 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 72.4 111.436 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.39 -43.88 89.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.156 -0.475 . . . . 72.3 111.041 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.577 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 60.1 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.77 -40.46 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 55.4 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.99 -33.31 71.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.955 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.3 mtmm -75.35 -30.46 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 63.4 111.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.48 -37.76 77.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 41.2 111.191 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.98 -30.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -30.76 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 74.5 111.02 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -76.74 -30.59 56.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.951 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.7 t -74.63 -30.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 74.2 111.182 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -73.85 -39.89 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.992 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -27.54 61.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.4 111.019 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.82 -42.44 49.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 75.5 111.25 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -66.05 -46.18 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.017 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -30.05 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 74.3 110.933 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.9 -45.12 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.14 -31.31 61.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 73.1 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -25.52 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 64.1 110.955 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.59 27.54 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 63.2 111.441 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 57.09 32.66 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 74.1 111.119 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.54 46.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.395 . . . . 64.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -50.57 -44.93 56.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 74.2 111.192 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -42.37 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.3 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -42.77 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 51.2 110.766 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.0 69.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 71' ' ' LYS . 8.9 tp -60.42 -49.27 78.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.953 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -32.9 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.899 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.7 mm? -71.02 -39.16 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.962 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -70.96 -49.05 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.15 -30.35 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.986 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.39 -43.86 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 61.4 110.953 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 61.3 111.126 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -68.55 -32.67 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 70.0 111.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.53 -34.87 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 71.4 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -73.03 -33.54 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 44.4 111.06 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG23 ' A' ' 56' ' ' ILE . 7.8 m-85 -72.15 -42.79 65.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.3 110.973 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.5 110.987 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -64.78 -38.78 92.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 54.1 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.08 95.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.1 111.069 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.8 mt -66.95 -49.07 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.148 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -52.99 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.3 111.011 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.78 -64.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 74.3 111.127 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -98.38 90.54 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 75.2 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.76 153.27 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 71.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -135.68 -169.2 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 75.4 110.81 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.48 169.45 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.472 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.121 -0.491 . . . . 45.2 110.931 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.73 -50.25 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.95 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.14 -35.01 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.746 -0.661 . . . . 73.5 111.207 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -67.88 -36.56 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 62.5 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -37.1 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.84 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -64.36 -45.08 89.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 61.4 111.056 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 15.2 mt -70.7 -41.09 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 71.4 111.394 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.9 tpt85 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 73.1 111.122 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.74 -29.91 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 61.3 111.068 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 30.8 mttt -70.81 -36.93 73.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 63.5 110.984 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.82 -34.96 79.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -63.87 -46.94 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.2 111.307 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -30.91 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.3 111.041 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 8.7 m-85 -70.98 -35.9 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 72.2 111.023 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.49 -30.91 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 54.1 111.074 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -29.4 60.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.046 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -32.37 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 75.2 111.014 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.21 -34.88 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 62.3 111.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.01 -37.61 83.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.24 -0.436 . . . . 61.4 110.866 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -72.85 -29.92 63.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.957 0.408 . . . . 73.4 111.414 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.58 -48.83 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 65.4 111.104 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 29' ' ' LEU . 36.3 tttt -63.58 -45.86 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 75.1 111.036 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -28.91 69.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.97 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.26 -50.39 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 64.4 111.386 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -70.14 -36.23 74.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.301 -0.409 . . . . 74.4 111.601 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.2 mtt180 -67.31 -48.96 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 74.3 110.799 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.552 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.832 0.349 . . . . 73.1 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.32 -38.92 78.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.954 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -69.53 -40.31 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.873 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.638 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -66.46 -30.42 70.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 72.2 110.962 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.26 -42.17 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.213 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.32 -30.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.2 111.163 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -30.11 67.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 64.1 110.98 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 31' ' ' LEU . 3.8 mm? -76.0 -30.75 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 70.3 111.025 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' ALA . 27.6 t -74.17 -30.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.183 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -71.67 -37.72 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 60.1 111.0 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -73.04 -29.93 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 64.1 110.965 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.67 -47.48 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.217 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -58.8 -46.57 87.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.999 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.47 -37.35 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 65.3 110.927 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.57 -47.76 80.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -28.27 42.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.165 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -72.95 -29.57 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 73.5 110.984 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.84 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.3 111.285 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 56.41 58.06 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.025 0.441 . . . . 74.3 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.31 46.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 51.1 110.85 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -52.54 -30.7 31.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.067 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.26 -51.91 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 75.5 110.866 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.6 tp10 -67.26 -40.73 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.901 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.91 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.3 111.123 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HE ' ' A' ' 30' ' ' ARG . 6.1 tp -60.82 -43.39 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.921 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HE ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -78.65 -31.53 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.6 mm? -71.02 -38.23 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 63.4 110.952 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -75.6 -45.42 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.4 111.003 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.78 -29.77 67.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 54.0 110.998 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.07 -47.27 59.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 74.2 110.974 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.21 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.252 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.3 t -69.58 -36.73 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 72.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.04 -31.35 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.2 111.042 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -73.08 -35.05 66.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 65.1 111.045 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.2 m-85 -70.94 -47.93 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.4 111.073 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.93 -43.85 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 73.3 110.988 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.29 -30.42 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.039 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.2 91.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.244 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.649 HD11 HG22 ' A' ' 56' ' ' ILE . 4.7 mt -73.01 -46.17 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.911 -0.586 . . . . 74.3 111.484 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -60.02 -39.1 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.2 111.079 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -91.02 -63.95 1.2 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.55 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -97.31 91.85 5.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.972 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.37 173.03 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 75.2 111.074 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -158.79 -169.26 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.0 110.856 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -63.1 170.12 3.01 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.107 0.479 . . . . 73.2 110.451 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -39.75 82.32 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.56 -0.745 . . . . 74.3 111.023 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -58.96 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 73.4 111.123 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -29.94 61.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.995 -0.548 . . . . 71.1 111.071 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -74.14 -48.88 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.67 0.272 . . . . 72.0 111.063 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -37.08 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 63.2 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -59.01 -50.32 74.56 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.156 -0.474 . . . . 71.1 110.875 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.649 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.02 -36.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.166 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.89 -52.1 61.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.382 -0.372 . . . . 75.4 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 71.3 111.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -70.21 -36.28 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 71.2 111.008 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -63.89 -35.98 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 52.1 111.022 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 -39.64 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.1 111.291 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -31.89 61.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.973 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.91 -35.97 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 65.0 111.031 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.0 mt -71.09 -29.3 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.059 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -30.9 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 73.1 111.014 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -42.61 36.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 72.4 110.982 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -64.28 -30.07 71.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 61.2 111.273 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.29 -37.55 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 70.2 111.065 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.94 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.99 0.424 . . . . 72.2 111.174 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 67' ' ' ALA . 80.1 mt -67.43 -38.74 85.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.1 110.958 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.69 -46.08 63.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 53.5 111.014 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -28.82 66.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 63.5 111.136 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -76.48 -49.9 15.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.273 -0.421 . . . . 72.4 111.158 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -71.68 -32.42 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 52.0 111.275 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.46 -36.4 65.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 75.5 110.87 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 63.5 110.976 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.831 0.348 . . . . 52.2 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.14 -45.63 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 62.3 110.932 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.38 -30.93 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.028 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 mttm -67.75 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.999 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.76 -35.7 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.5 111.216 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.1 mt -71.85 -29.69 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -29.58 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.392 . . . . 43.3 111.005 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.3 mm? -76.6 -30.45 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 70.4 110.993 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.0 t -80.03 -29.91 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 63.5 111.181 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.8 m -70.08 -39.36 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 75.3 110.988 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -72.86 -46.18 54.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 45.1 111.255 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 t -59.12 -43.52 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 73.3 111.046 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.98 -38.26 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.999 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.25 -42.73 88.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 62.2 111.012 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -53.95 -34.46 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 72.1 111.023 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -23.22 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 75.2 111.097 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.17 26.73 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 73.3 111.42 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.66 36.97 28.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 62.1 111.028 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -109.44 46.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.1 110.769 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -51.55 -34.97 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.03 -40.87 87.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.894 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.1 tp10 -72.84 -32.17 65.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.955 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.81 80.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 73.3 111.176 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.63 -48.25 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.5 110.957 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -70.72 -33.93 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.9 mm? -71.04 -40.19 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 62.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -69.79 -46.56 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.954 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.3 -31.44 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.5 111.033 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.82 -37.28 76.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.032 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -67.55 -40.21 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 70.3 111.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -60.02 -42.57 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.203 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.05 -47.96 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 63.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -61.16 -39.46 90.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.02 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 3.5 m-85 -60.85 -53.02 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.965 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 43' ' ' ILE . 2.0 mp -59.62 -45.96 90.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 51.3 110.973 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -60.67 -30.54 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 73.1 110.988 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.03 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.208 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 56' ' ' ILE . 7.9 mt -78.05 -47.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 74.5 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -53.05 62.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.365 -0.38 . . . . 75.5 110.977 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -73.62 -64.32 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.007 0.432 . . . . 52.3 111.211 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.64 82.41 3.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 72.1 110.938 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.94 123.57 30.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.121 -0.491 . . . . 75.5 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -106.3 -165.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.87 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.69 171.51 2.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.335 -0.393 . . . . 70.4 111.302 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -34.03 71.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.707 0.289 . . . . 73.1 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.5 86.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 75.3 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -32.28 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.212 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -67.66 -47.49 69.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 65.5 110.934 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.97 -38.55 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 60.3 110.841 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -60.27 -48.8 80.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.352 -0.386 . . . . 55.1 110.894 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 10.1 mt -71.19 -39.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.1 111.154 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.7 tpt85 -60.23 -37.18 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 73.4 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.01 -28.05 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.4 111.163 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -68.51 -51.08 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.3 111.163 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.59 -40.37 83.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 75.4 111.188 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 57' ' ' ARG . 38.3 t -61.69 -36.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 54.2 111.139 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -36.3 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 63.4 111.076 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -70.98 -36.29 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.021 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.56 -39.5 93.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.987 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.5 -48.08 76.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 54.4 111.105 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -60.85 -46.63 89.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.2 111.083 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -57.67 -28.85 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.261 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.56 -39.14 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.397 . . . . 62.1 111.179 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -33.35 74.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.224 0.535 . . . . 72.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 67' ' ' ALA . 73.2 mt -64.1 -39.47 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 65.2 111.06 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -66.97 -47.77 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.028 0.442 . . . . 74.2 110.966 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -29.04 70.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.266 -0.424 . . . . 70.1 111.374 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.94 -50.05 32.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.166 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -74.53 -38.74 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.143 0.497 . . . . 70.5 111.241 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.5 mtp180 -60.92 -53.14 60.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 73.2 110.847 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 74.3 111.047 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.738 0.304 . . . . 74.4 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -34.61 63.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -70.05 -31.09 68.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 63.4 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 12' ' ' LEU . 13.0 mtmm -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.39 -32.09 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 63.2 111.202 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.4 mt -73.05 -30.29 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 55.1 111.158 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.2 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.1 mm? -73.03 -30.68 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 74.3 111.036 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.7 t -74.14 -30.66 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 50.4 111.182 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -72.24 -40.35 67.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -27.83 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.5 111.048 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.688 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -71.91 -49.59 36.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 60.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.66 -46.96 86.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 74.4 111.146 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.24 -29.91 70.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 63.3 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.57 -39.48 58.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 75.5 111.03 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -48.03 70.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 63.1 111.011 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -16.3 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 74.3 111.362 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.12 24.52 4.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 52.0 111.495 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 56.41 38.17 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 71.4 111.091 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.74 46.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.2 110.801 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -52.87 -38.14 61.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.2 111.18 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -52.33 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.06 -39.99 94.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.98 69.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 61.1 111.177 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD21 ' HE3' ' A' ' 71' ' ' LYS . 4.9 tp -63.02 -45.89 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.4 111.052 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -77.75 -30.8 51.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.964 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.8 mm? -69.82 -43.47 71.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.978 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -69.19 -46.76 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.968 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.62 -31.03 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 62.2 111.035 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.79 -45.78 60.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 73.4 111.075 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.61 -33.61 70.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.202 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.3 t -71.18 -32.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 73.3 111.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.97 -33.82 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 54.4 111.038 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.96 -31.32 64.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 71.1 111.009 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.9 m-85 -72.51 -46.7 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.031 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.57 -41.77 90.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 53.2 111.073 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.8 t60 -68.31 -34.26 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 61.3 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.87 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 56' ' ' ILE . 5.1 mt -73.51 -46.38 48.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.118 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -45.11 92.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 62.5 111.023 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 8.8 m-85 -81.92 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 72.3 111.386 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -98.3 93.58 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 73.5 110.974 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.82 107.63 18.76 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.888 0.375 . . . . 34.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 51.6 m-70 -83.65 -174.66 5.41 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.857 -0.611 . . . . 71.0 110.745 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -63.19 173.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.636 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -42.2 79.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 72.2 111.079 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.77 -49.4 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 43.1 110.771 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.09 -34.58 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.672 -0.24 . . . . 63.4 111.03 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -71.56 -35.27 70.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.822 0.344 . . . . 70.4 110.905 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -74.08 -37.07 64.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 71.3 110.828 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 72.3 111.024 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.32 -39.7 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.065 -0.516 . . . . 54.2 110.993 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -59.4 -45.03 92.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 74.2 110.918 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.58 -29.82 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 72.1 111.008 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -69.37 -38.88 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.991 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.7 m -65.42 -32.94 74.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 63.2 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.3 t -65.44 -42.57 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.284 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.3 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.474 ' HB3' HG22 ' A' ' 36' ' ' VAL . 12.9 m-85 -71.11 -36.01 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.018 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -73.46 -29.82 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.4 111.151 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.15 -30.93 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 61.4 111.061 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -32.16 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.3 111.002 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -66.73 -29.98 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.249 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -32.05 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 65.2 110.976 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -73.44 -30.17 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.155 -0.475 . . . . 71.3 111.002 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.2 mt -70.17 -35.94 74.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.021 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' HD21 ' A' ' 29' ' ' LEU . 8.2 tttt -73.31 -47.17 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 72.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -28.93 66.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.958 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -76.3 -50.34 14.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 72.4 111.084 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -70.29 -36.96 74.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 74.3 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.9 ttt180 -72.68 -31.15 64.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.281 -0.418 . . . . 55.5 110.889 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.94 0.4 . . . . 63.5 110.898 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.332 . . . . 73.3 110.948 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.5 -44.37 67.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.914 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -64.08 -37.36 87.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 55.2 110.98 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HD23 ' A' ' 12' ' ' LEU . 21.7 mttt -65.49 -43.31 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 54.2 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.91 -38.85 87.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 75.3 111.138 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.6 mt -68.21 -29.52 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 73.5 111.205 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.62 -35.25 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.001 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -69.0 -30.44 68.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 73.0 111.019 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.5 t -77.26 -29.64 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 74.1 111.23 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -69.38 -42.78 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.116 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 53.3 111.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -44.3 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.3 111.411 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 51.4 111.12 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.84 -30.74 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 74.2 110.95 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -38.53 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.4 111.013 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -48.09 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.5 111.04 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.01 -15.63 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.345 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.39 26.72 3.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.744 0.307 . . . . 73.3 111.464 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 56.44 29.88 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 70.5 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -110.9 46.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -51.86 -43.77 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.4 111.164 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.11 -45.65 90.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -39.19 79.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.4 110.88 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.62 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.183 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.25 -39.96 93.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.42 -38.27 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 12' ' ' LEU . 4.2 mm? -71.14 -32.58 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 62.2 110.9 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 m-85 -72.2 -42.43 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.95 -30.41 70.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 52.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -69.46 -37.58 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.971 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -69.09 -30.33 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 53.1 111.137 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.7 t -73.33 -33.12 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 75.3 111.145 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.95 -33.07 71.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.029 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.95 -36.66 67.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 62.5 110.98 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.4 m-85 -66.61 -44.28 82.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 70.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.82 -46.07 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.2 111.08 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -66.76 -30.9 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.02 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.7 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 72.4 110.98 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.847 HD11 ' CG2' ' A' ' 56' ' ' ILE . 7.5 mt -77.92 -39.1 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.983 0.421 . . . . 74.1 111.301 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -53.05 60.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 74.2 110.953 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 41.9 m-85 -82.69 -64.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.463 -0.335 . . . . 72.1 110.867 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -85.19 78.71 9.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.144 0.497 . . . . 73.3 110.796 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 128.74 34.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 75.1 111.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -114.82 -167.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.4 110.835 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -62.65 172.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.111 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.54 -0.3 . . . . 73.5 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.08 87.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 64.4 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.7 -43.62 58.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.032 0.444 . . . . 51.0 111.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 74.3 110.958 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.95 -38.42 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 61.3 111.083 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.82 -44.57 93.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 61.1 111.155 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.847 ' CG2' HD11 ' A' ' 43' ' ' ILE . 14.1 mt -70.76 -42.99 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.164 0.507 . . . . 65.3 111.371 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -59.74 -36.08 75.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.838 -0.619 . . . . 71.1 110.961 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.14 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.975 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -35.0 62.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 72.2 111.035 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -58.67 -51.02 71.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 74.1 111.089 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.3 111.278 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -42.05 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 71.4 111.069 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.19 -36.29 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.991 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 36' ' ' VAL . 10.1 mt -67.29 -37.57 83.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 62.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.03 -44.91 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 73.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.88 -44.91 96.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.031 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 50.4 111.279 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.46 -32.0 69.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.2 111.021 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -72.78 -32.27 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 51.1 110.975 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 67' ' ' ALA . 45.7 mt -66.88 -46.09 76.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 61.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.69 -48.32 82.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 63.2 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -30.23 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.1 111.21 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -69.03 -50.08 51.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 74.1 111.026 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.32 -31.29 63.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.176 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -66.49 -44.31 82.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 75.1 111.058 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 74.1 110.673 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.777 0.323 . . . . 73.2 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.71 -43.87 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.3 tm0? -63.86 -31.38 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 64.4 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -71.27 -34.3 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.941 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 52.2 111.173 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 7' ' ' GLN . 14.5 mt -72.06 -30.62 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.143 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -31.49 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.0 mm? -74.08 -31.15 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 55.1 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 9' ' ' ALA . 28.5 t -74.99 -30.23 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -74.17 -40.89 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 53.1 110.909 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.56 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.4 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.74 -49.14 41.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.135 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.3 t -59.38 -47.8 84.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.994 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 17' ' ' THR . 18.3 pt-20 -62.83 -40.56 97.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 64.3 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.91 97.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -30.45 49.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.055 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -75.01 -25.74 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.985 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 28.36 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 73.2 111.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 58.53 56.22 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 63.5 110.9 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -123.95 46.03 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -54.02 -36.92 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.1 111.112 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -39.95 79.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.958 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -40.48 65.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 73.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.62 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.259 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 71' ' ' LYS . 49.2 tp -61.46 -50.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.5 110.966 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -72.34 -31.07 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 70.3 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.551 HD13 HD12 ' A' ' 12' ' ' LEU . 2.7 mm? -70.98 -47.54 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.941 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -65.88 -41.52 91.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.3 111.004 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.47 -30.98 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.98 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -48.34 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 61.2 110.968 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.59 -29.88 66.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.292 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -74.2 -34.06 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.183 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.05 -34.67 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.1 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.63 -34.2 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 71.2 111.023 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -69.39 -44.11 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 61.5 111.019 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.37 -43.17 99.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 73.3 111.012 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.93 -30.75 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.099 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.7 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.3 111.224 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.61 -48.12 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 50.2 111.469 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -58.69 -50.25 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.16 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 72.0 111.344 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -98.83 91.28 5.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.353 . . . . 74.3 110.99 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 148.4 22.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 53.4 111.019 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -127.96 -168.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 70.3 110.76 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -62.73 168.3 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 44.2 110.95 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.78 69.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 70.2 111.193 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -64.78 -49.69 69.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.995 -0.548 . . . . 72.1 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.64 -30.89 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 71.3 111.194 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -72.13 -34.59 68.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.368 -0.378 . . . . 73.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.31 -41.77 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.2 111.001 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -44.62 95.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.848 0.356 . . . . 71.3 110.966 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.631 HG22 HD11 ' A' ' 43' ' ' ILE . 14.4 mt -71.12 -46.5 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 74.1 111.029 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpt85 -58.73 -47.29 85.11 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.07 -0.513 . . . . 75.5 111.031 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -30.0 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 53.1 111.048 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.17 -35.4 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 74.0 111.029 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.6 -35.62 81.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 60.2 111.056 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.21 -50.02 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 54.0 111.265 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -30.0 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.2 111.117 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.64 -35.97 75.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.38 -29.85 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 62.4 111.113 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -33.88 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 61.4 111.057 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -76.52 -32.04 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 72.1 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.66 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.4 111.2 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -46.92 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.883 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -60.98 -29.25 69.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 75.0 111.245 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.98 -49.97 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.3 111.143 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 ptpt -66.21 -31.4 72.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.126 0.489 . . . . 74.2 111.03 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.73 -29.07 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.868 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.73 -47.63 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.383 -0.371 . . . . 61.3 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 71' ' ' LYS . 2.8 pp -71.01 -41.85 70.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.235 -0.438 . . . . 54.4 111.158 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.7 mtp-105 -60.2 -53.59 55.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 74.1 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.317 0 CA-C-N 116.223 -0.444 . . . . 65.2 110.976 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.748 0.308 . . . . 64.3 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.89 -44.64 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.88 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.8 mm100 -67.46 -30.8 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 74.3 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 12' ' ' LEU . 12.3 mmtt -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -63.74 -34.89 78.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.4 111.222 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.88 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.2 mt -67.28 -29.56 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 54.3 111.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -76.62 -35.05 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 70.5 111.062 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.8 t -70.71 -30.53 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.164 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 -39.13 54.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.3 111.041 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -72.92 -29.65 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -75.96 -46.05 31.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 111.239 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -58.46 -43.53 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 52.4 111.069 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.12 -30.85 70.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.5 -42.21 65.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.111 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.95 -38.85 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -74.93 -22.04 58.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.1 111.035 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.63 25.29 4.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.48 -0.327 . . . . 75.1 111.475 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 56.66 40.89 29.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 73.1 111.033 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -115.23 46.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -52.63 -30.86 33.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 74.1 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -47.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 64.4 110.898 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -37.86 72.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 63.5 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -32.05 68.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.1 111.142 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.38 -44.71 78.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.52 -32.68 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.4 mm? -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.2 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.0 m-85 -67.23 -40.78 86.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 62.3 110.967 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -59.34 -31.37 69.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 72.5 111.027 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.83 -41.98 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 72.3 111.046 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.71 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 72.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -64.18 -49.47 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 72.1 111.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.71 -30.75 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 73.4 111.005 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.1 m-85 -74.07 -42.92 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.987 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.45 -46.13 91.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 74.3 111.014 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.6 t60 -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.5 111.011 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -35.62 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 61.4 111.084 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.742 HD11 ' CG2' ' A' ' 56' ' ' ILE . 9.9 mt -77.97 -44.77 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 64.2 111.225 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -52.91 63.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.859 -0.61 . . . . 73.4 111.113 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 11.3 m-85 -76.54 -64.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.83 79.91 5.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 73.2 110.933 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.0 122.57 28.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.245 -0.434 . . . . 75.4 110.957 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -105.23 -166.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 74.4 110.755 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.62 172.06 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 42.1 111.031 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -31.49 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 64.3 111.058 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -63.08 -45.21 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.977 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.9 -44.05 56.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 63.2 111.094 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -59.24 -48.79 80.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.054 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.71 -40.17 91.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 72.2 111.0 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -60.02 -46.79 88.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 32.3 111.1 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' A' ' 43' ' ' ILE . 10.8 mt -70.95 -46.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.398 -0.365 . . . . 74.2 111.195 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.4 tpt85 -59.66 -37.35 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.2 111.007 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.85 -30.75 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.0 111.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -40.02 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 61.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.97 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.7 t -65.66 -49.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.4 111.257 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.7 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 63.5 111.147 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -70.05 -36.13 74.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 73.4 110.95 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.91 -31.03 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 62.5 110.907 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.02 -31.09 61.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 73.1 110.972 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -46.73 39.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.5 111.011 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.75 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 72.2 111.255 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.51 -32.37 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.48 62.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.92 0.39 . . . . 64.5 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.2 -50.05 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 52.2 111.033 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -39.91 94.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 61.4 111.083 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -29.57 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.3 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -71.56 -50.21 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.86 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.5 pp -71.74 -39.63 69.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.12 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.2 mtt85 -62.15 -52.13 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 62.3 111.0 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.405 . . . . 63.3 110.922 179.685 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 50.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.0 -45.56 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 63.1 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.3 tp60 -62.42 -30.84 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.5 mttt -69.6 -41.81 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 74.2 110.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.41 -33.8 76.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.184 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.9 mt -70.32 -29.51 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.3 111.205 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.4 -30.18 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 62.1 111.073 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -73.51 -44.77 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.911 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.19 -28.98 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 53.3 111.281 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.1 m -73.83 -36.99 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 74.2 110.957 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.95 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.05 -47.61 24.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 71.2 111.33 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 18' ' ' GLU . 5.9 t -58.95 -48.59 80.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.1 -29.94 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 64.3 110.937 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.28 -44.48 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 63.3 111.035 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.9 -33.37 56.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 54.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -75.0 -25.58 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.3 111.034 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.53 27.08 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 50.4 111.373 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.2 46.34 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 73.2 111.051 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -121.69 46.19 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 53.3 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -51.35 -42.83 61.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -42.59 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.85 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.59 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.836 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.02 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.065 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.53 -53.5 55.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -66.82 -34.77 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 72.2 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.739 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.5 mm? -70.91 -35.68 72.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -76.03 -39.92 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.967 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.45 -36.37 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.976 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.34 -45.56 83.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.2 111.076 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.6 -37.69 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 72.5 111.253 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -65.93 -31.21 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.148 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -70.06 -35.42 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -72.67 -39.67 66.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.039 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -62.85 -50.11 72.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.976 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -58.88 -44.39 91.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 75.5 111.003 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -62.55 -30.62 71.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 74.4 111.057 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.1 111.231 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 40' ' ' LEU . 11.1 mt -76.76 -51.47 19.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.904 -0.589 . . . . 75.2 111.122 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -53.3 59.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 65.2 110.971 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -69.95 -64.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 74.3 111.219 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.1 83.03 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 74.2 111.017 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.06 118.07 22.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 35.2 111.141 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -100.08 -167.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 64.5 110.773 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -63.11 171.72 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 70.2 110.715 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.17 -36.18 74.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.947 -0.569 . . . . 52.1 111.003 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.96 88.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.853 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.95 -43.43 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.4 111.106 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -60.75 -43.04 98.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.14 -40.68 71.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.265 -0.425 . . . . 65.3 110.949 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -60.02 -44.49 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 71.1 110.906 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 43' ' ' ILE . 7.6 mt -71.16 -43.3 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 65.3 111.005 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.7 tpt85 -59.46 -42.03 91.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 63.5 110.967 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.94 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 54.4 111.147 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 21.6 mtpt -73.84 -34.96 64.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.0 111.066 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.87 -40.22 91.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 74.2 111.057 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.3 -37.05 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.265 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.38 -39.09 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 74.3 110.965 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 30.7 m-85 -71.07 -41.77 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 71.1 110.987 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD23 HG11 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -60.14 -39.94 88.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 75.3 111.075 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -34.65 74.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 72.4 110.999 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.014 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.22 -30.08 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.23 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -44.08 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.4 111.153 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -29.79 67.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 73.1 111.092 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 67' ' ' ALA . 59.3 mt -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.5 111.018 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -68.74 -43.52 75.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 63.1 111.092 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -29.17 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.909 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -68.65 -50.29 52.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 62.1 111.134 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.9 -29.99 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 63.4 111.081 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -54.85 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 63.1 110.809 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.4 111.129 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.352 . . . . 74.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.9 mm? -69.99 -41.0 74.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.932 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -44.17 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.5 mttm -62.02 -42.48 99.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 72.3 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.16 -47.95 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 51.2 111.203 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.1 mt -64.57 -29.78 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 55.3 111.175 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.27 -30.63 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.3 110.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.4 mm? -75.05 -45.73 39.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.965 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -30.27 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 41.1 111.209 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -69.7 -44.49 70.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.063 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -73.0 -27.24 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.089 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -74.55 -46.66 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 70.1 111.296 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.0 t -63.77 -47.26 81.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.979 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.88 -33.02 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 71.4 110.984 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.44 -46.09 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.97 -32.02 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 74.2 111.079 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.03 -25.54 58.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 64.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.51 26.29 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 25.4 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttp 56.8 55.56 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 64.2 111.005 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -124.04 46.15 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.52 -30.68 21.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 70.4 111.239 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.89 -51.42 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.821 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.32 70.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.22 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -76.07 -33.91 59.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.3 111.002 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.07 -32.03 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.1 110.961 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.748 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.94 -49.5 17.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -59.45 -36.54 76.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.092 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.13 -36.94 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.053 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -66.54 -34.2 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 53.5 111.219 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -71.42 -30.38 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 71.3 111.193 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.04 -34.8 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.998 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -73.0 -34.12 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 12.7 m-85 -69.64 -44.02 71.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.4 111.028 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 43' ' ' ILE . 9.9 mt -64.03 -46.1 85.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 74.1 110.977 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -62.02 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.46 82.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 30.5 111.141 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.3 mt -73.06 -42.26 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.139 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -43.98 94.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.99 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -90.53 -64.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.99 0.424 . . . . 75.3 110.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.59 92.82 9.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.733 -0.667 . . . . 72.3 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.1 134.59 38.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.015 -0.538 . . . . 55.5 111.176 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.6 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.56 -168.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 74.1 110.841 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -62.91 170.19 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 71.5 111.005 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -38.35 76.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 73.3 111.06 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.86 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.002 -0.544 . . . . 65.1 110.924 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -35.16 63.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 70.4 111.015 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -67.31 -38.84 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 63.3 111.122 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.44 -39.6 77.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.964 -0.562 . . . . 75.5 110.979 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -59.58 -46.95 87.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 73.1 110.977 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 9.9 mt -71.31 -34.74 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 64.1 111.092 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.804 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.2 tpt180 -65.24 -40.91 94.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 74.0 111.065 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.99 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 62.0 111.088 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -66.18 -50.96 62.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.14 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -60.14 -34.58 73.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 44.2 111.112 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 57' ' ' ARG . 33.8 t -67.0 -36.06 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 75.4 111.234 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.05 -36.29 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.118 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -70.34 -36.02 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.3 111.089 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.81 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 62.2 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -30.59 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 64.1 111.098 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -79.24 -33.67 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 53.5 111.026 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.6 -28.85 67.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.294 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.16 -51.48 37.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 61.2 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -37.09 74.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.299 0.571 . . . . 64.4 111.265 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 67' ' ' ALA . 17.8 mt -60.13 -45.25 93.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 73.2 111.048 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.17 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 55.5 110.932 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -29.03 69.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 73.0 111.081 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.59 -49.23 27.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.066 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -72.45 -29.22 63.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.521 -0.309 . . . . 63.4 111.24 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 74' ' ' LEU . 3.6 mtt180 -73.3 -36.64 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 74.2 110.98 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 72.0 110.601 -179.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.331 . . . . 65.1 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.72 -33.34 66.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.7 tp60 -72.53 -31.12 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.938 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -72.71 -38.27 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.46 -35.04 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 52.2 111.067 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.5 mt -71.91 -30.41 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 62.2 111.187 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -31.94 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 60.5 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -73.29 -32.61 64.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.953 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.1 t -75.67 -30.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.099 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -70.63 -41.79 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 71.4 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -73.03 -29.87 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.937 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.47 -48.96 36.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 62.3 111.244 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.8 t -58.97 -46.79 87.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 71.2 111.028 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' THR . 11.9 pt-20 -64.82 -37.44 87.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.5 110.975 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.04 -45.53 88.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 61.4 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -33.01 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 74.3 111.045 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.66 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.009 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 27.56 3.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 74.3 111.394 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.38 50.36 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 64.1 110.95 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -120.99 46.1 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 70.1 110.881 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -53.11 -32.15 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 73.4 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -50.48 48.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -67.74 -39.51 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 72.5 110.836 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.93 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.5 111.098 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.82 -43.41 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -35.85 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.1 mm? -66.71 -48.27 69.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.2 110.955 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.702 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.7 m-85 -64.61 -41.51 96.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.988 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -71.37 -39.69 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.045 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -62.73 -29.08 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 65.5 111.284 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -74.85 -54.12 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 71.1 111.299 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.15 -35.89 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -66.12 -31.08 71.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.955 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -74.05 -43.44 57.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.951 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.76 -43.61 94.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.049 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -65.03 -30.26 71.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 71.1 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.29 -34.54 74.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.219 -0.446 . . . . 61.3 111.018 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 HG22 ' A' ' 56' ' ' ILE . 20.6 mt -75.88 -47.53 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 33.3 111.22 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -52.4 65.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.2 110.959 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.39 -64.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 55.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -95.15 83.88 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 71.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.09 116.19 24.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.919 -0.582 . . . . 73.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -98.85 -167.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 73.2 110.824 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.28 172.59 1.85 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.085 -0.507 . . . . 54.5 110.945 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.45 -35.03 73.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 74.5 110.786 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -60.66 -49.99 75.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 64.4 110.981 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.23 -35.41 63.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 71.5 110.943 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -67.0 -37.1 83.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.379 . . . . 71.3 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -74.08 -36.97 64.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.073 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -64.53 -44.87 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 73.2 111.055 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.566 HG22 HD11 ' A' ' 43' ' ' ILE . 7.0 mt -70.04 -41.65 79.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 121.159 0.504 . . . . 63.5 111.376 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -59.7 -47.49 85.42 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.858 -0.61 . . . . 74.3 111.105 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.42 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 64.4 111.074 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -67.71 -35.8 79.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 65.5 110.906 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.54 -35.36 78.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 72.4 111.067 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.7 -38.05 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 74.1 111.168 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -41.24 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.048 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 22.9 m-85 -66.61 -35.98 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.1 110.998 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.97 -30.19 68.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 71.4 111.039 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -30.12 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 72.2 111.126 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -31.94 53.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 62.3 111.035 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.24 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.213 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -41.34 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 75.3 110.921 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.74 78.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 75.1 111.073 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.58 -41.94 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.0 -46.5 77.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.963 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -28.95 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.1 111.026 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -76.76 -49.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 74.5 111.194 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.64 -30.95 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 75.5 111.34 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -79.16 -46.94 16.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.923 0.392 . . . . 73.2 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 72.1 110.836 -179.708 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 71.1 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.92 -43.99 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 54.3 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.5 tp60 -66.41 -33.17 75.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.09 -32.22 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.898 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.82 -34.79 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 53.3 111.187 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.1 mt -72.95 -29.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.1 111.115 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -30.31 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.3 111.102 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.4 mm? -72.81 -33.94 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 61.4 111.072 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 ' HB1' ' A' ' 35' ' ' ALA . 16.3 m -79.98 -30.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 65.2 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.8 m -72.52 -35.74 68.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.02 62.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.048 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.51 -47.63 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.2 111.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -58.43 -43.4 88.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 70.5 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.05 -30.58 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 61.3 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -37.55 62.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.1 110.94 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.95 -47.99 70.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 61.3 110.991 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.28 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.245 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.71 23.61 5.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.561 -0.291 . . . . 72.5 111.435 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.38 45.71 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 53.1 111.057 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -124.06 46.11 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 65.4 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.34 -41.62 60.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.66 -37.45 87.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 64.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.12 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.4 111.236 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 71' ' ' LYS . 63.7 tp -61.72 -51.21 69.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 55.2 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -32.26 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.7 mm? -71.04 -43.13 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 65.3 111.008 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.2 m-85 -70.01 -46.18 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 74.1 111.036 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.22 -33.44 70.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.089 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.66 -37.51 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 64.3 111.07 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -65.39 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.2 111.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.88 -30.48 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.2 111.217 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.04 -39.22 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 74.1 111.025 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.61 -32.53 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 55.3 111.005 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.06 -44.36 69.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 71.2 110.975 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -60.03 -35.47 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 63.4 110.972 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -73.47 -30.75 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.4 110.926 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.39 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 73.4 111.119 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.4 mt -76.1 -47.96 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 61.3 111.069 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -59.68 -52.71 64.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 73.2 111.045 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -74.54 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 74.2 111.276 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -94.15 83.17 4.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 71.1 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.65 113.66 24.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.091 -0.504 . . . . 71.4 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -91.98 -169.31 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -63.32 170.43 3.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.128 -0.487 . . . . 74.1 110.77 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.3 -37.96 76.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.373 -0.376 . . . . 73.3 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -50.01 75.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 63.5 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.12 -35.97 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.057 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.36 96.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 65.5 111.09 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -36.97 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 75.4 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.83 97.6 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.261 -0.427 . . . . 70.4 111.06 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.05 -44.76 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 71.3 111.146 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tpt85 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.454 -0.339 . . . . 72.2 111.096 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.5 70.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 61.2 111.212 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -69.19 -38.98 78.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.2 111.073 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.89 -33.81 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 43.2 111.03 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.65 -38.4 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.248 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -36.48 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 71.4 111.075 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -70.95 -36.1 72.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 75.5 111.077 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.24 -36.02 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 55.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -29.21 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 71.4 111.152 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmm-85 -77.69 -39.73 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 75.2 111.013 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.47 -40.01 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 73.3 111.298 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.83 -32.57 71.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.247 -0.433 . . . . 74.3 111.043 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.77 61.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 70.3 111.012 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 67' ' ' ALA . 18.4 mt -71.22 -46.57 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.038 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.73 -31.77 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 44.1 111.079 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -29.78 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.4 110.583 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -73.23 -48.42 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.481 -0.327 . . . . 73.4 111.042 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -69.64 -41.0 76.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.378 -0.373 . . . . 71.2 111.067 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.9 mtt180 -58.41 -42.26 86.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 72.2 111.072 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 70.4 111.079 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.869 0.366 . . . . 75.2 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.98 -36.07 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -72.05 -30.88 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.5 mmtt -71.13 -43.58 67.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 65.5 110.913 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.604 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.64 -38.79 82.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 51.5 111.287 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mt -69.84 -29.86 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.166 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -30.1 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 71.4 110.983 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -74.79 -31.73 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.934 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ALA . 30.4 t -78.69 -30.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 75.5 111.085 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 m -71.63 -37.28 70.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 54.3 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.16 64.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.001 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.31 -46.69 48.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.213 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -59.67 -45.67 91.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 42.4 110.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.38 -32.29 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 71.5 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -39.81 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.988 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -38.48 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 63.1 111.032 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.46 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 73.4 111.042 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.19 25.86 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 52.1 111.355 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 56.89 48.4 16.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 75.5 111.065 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.34 46.08 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -53.85 -34.13 58.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 64.5 111.058 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.2 -45.09 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 55.3 110.828 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -39.68 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.826 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.07 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.3 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 71' ' ' LYS . 3.6 tp -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 70.4 110.869 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.34 64.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -70.77 -45.14 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.898 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.633 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -67.84 -41.85 82.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.965 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -62.58 -32.74 73.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.0 -41.64 67.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 72.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.19 -33.97 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.0 111.244 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 64' ' ' LEU . 26.2 t -69.76 -33.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 50.3 111.119 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.1 -34.06 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -72.91 -30.89 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 65.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -72.34 -43.88 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 53.2 110.992 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.66 -45.8 85.19 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.2 -0.454 . . . . 71.5 110.977 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 60.5 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.88 81.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 44.2 111.035 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 56' ' ' ILE . 13.9 mt -73.31 -44.31 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.1 111.12 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -52.61 64.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 74.1 111.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.16 -63.85 1.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.9 -0.591 . . . . 73.5 111.234 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.22 86.09 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.76 118.69 30.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 52.4 111.148 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.648 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.01 -168.04 1.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.485 -0.325 . . . . 75.3 110.85 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 175.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 54.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -34.6 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.884 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -52.3 65.84 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.07 -0.514 . . . . 73.5 110.808 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.94 -32.19 63.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 72.2 111.21 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -70.1 -46.22 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.012 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -37.09 78.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.989 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -62.09 -47.73 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 43' ' ' ILE . 12.5 mt -71.1 -37.6 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 63.1 111.092 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.3 tpt85 -61.49 -40.52 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 71.2 111.117 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 71.2 111.354 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -50.92 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 65.3 111.105 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.1 p -58.92 -38.21 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 65.2 111.116 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 57' ' ' ARG . 37.0 t -62.44 -36.08 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 74.3 111.173 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -73.56 -36.2 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 70.3 111.057 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.0 -35.97 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 62.2 111.048 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 36' ' ' VAL . 4.2 mt -65.48 -41.45 93.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 51.4 111.058 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 55.2 111.079 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.3 111.01 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -29.92 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 72.2 111.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -32.58 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.908 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -30.23 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 52.4 110.862 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.3 mt -73.07 -36.92 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 74.4 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' A' ' 29' ' ' LEU . 11.5 tttt -68.77 -41.84 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.083 0.468 . . . . 63.2 110.921 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -30.56 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 75.2 110.877 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.49 -50.23 27.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 72.1 110.951 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -70.23 -31.18 68.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.148 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' N ' HD12 ' A' ' 74' ' ' LEU . 4.3 mtt180 -69.7 -38.92 77.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 73.2 110.795 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 63.4 110.748 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 61.4 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.48 -45.22 55.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -65.57 -30.58 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.0 110.967 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.7 mttp -71.07 -36.78 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.96 -33.22 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 111.193 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 7' ' ' GLN . 17.5 mt -72.49 -29.68 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -30.08 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.2 111.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.72 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.5 mm? -77.0 -31.38 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 74.5 111.094 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 9' ' ' ALA . 26.2 t -75.84 -29.66 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.284 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 m -77.5 -35.94 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 65.4 111.055 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.16 -45.28 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -59.22 -46.13 89.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 71.5 110.966 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.09 -38.66 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.3 111.028 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.67 -40.55 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.038 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -36.78 63.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 71.2 111.031 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -22.2 58.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 42.4 111.176 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.01 26.29 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.443 -0.344 . . . . 71.4 111.425 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 56.49 49.43 14.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 75.1 111.094 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -123.97 46.19 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.3 110.804 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -53.19 -30.31 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 65.2 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -47.04 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 71.4 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -41.15 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.31 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 61.4 111.161 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD21 ' HG3' ' A' ' 71' ' ' LYS . 10.6 tp -63.84 -43.17 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.953 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.73 -34.71 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.5 110.862 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -67.22 -44.17 80.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.2 m-85 -67.13 -42.59 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.919 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.63 -33.01 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 70.2 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -71.79 -42.03 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.4 111.017 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.35 -35.64 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.3 111.248 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 32' ' ' TYR . 34.4 t -71.15 -32.27 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 72.4 111.18 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.09 -36.09 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -73.02 -33.22 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.4 111.038 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 8.6 m-85 -70.6 -51.28 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.997 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -59.28 -46.0 89.73 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.27 -0.423 . . . . 63.2 111.007 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.1 t60 -62.93 -30.9 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.955 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.23 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 53.4 110.976 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 56' ' ' ILE . 11.5 mt -77.87 -43.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 63.3 111.228 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.9 63.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 72.1 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 6.5 m-85 -77.68 -64.22 1.2 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 73.4 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.54 85.36 6.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.946 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.83 124.48 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 60.3 111.13 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.16 -166.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.833 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 170.65 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.2 110.693 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.19 -31.06 69.79 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.851 -0.613 . . . . 71.5 111.179 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -50.38 66.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 70.1 110.912 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -71.57 -35.08 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 74.5 111.239 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -63.58 -48.91 75.48 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.074 -0.512 . . . . 73.5 110.978 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.1 110.854 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -47.69 84.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 65.4 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 43' ' ' ILE . 11.8 mt -70.6 -44.36 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.4 111.063 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 tpt180 -59.85 -42.71 94.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.873 0.368 . . . . 73.3 111.017 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.73 70.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.281 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.93 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 71.4 110.95 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -66.77 -32.94 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 63.1 110.932 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -66.38 -46.6 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 61.2 111.207 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.61 -42.48 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 71.5 110.935 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -59.49 -35.94 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 61.5 111.012 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.95 -37.03 78.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 55.2 111.023 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.4 111.0 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.18 -47.97 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.2 111.015 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.46 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.4 111.2 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.54 -39.64 85.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.1 111.208 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -39.4 73.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.291 0.567 . . . . 73.2 111.145 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.35 -40.25 95.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 71.4 111.006 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.79 -48.01 64.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 72.2 110.979 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -29.35 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.157 -0.474 . . . . 41.5 110.758 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -67.92 -50.34 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.014 0.435 . . . . 73.2 111.013 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -73.88 -32.12 63.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.248 0.547 . . . . 64.3 111.22 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.49 -32.21 69.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.947 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.3 110.669 -179.638 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.808 0.337 . . . . 51.3 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.32 -43.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.6 tp60 -68.46 -31.11 70.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.579 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.72 -34.5 71.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 62.4 110.873 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -70.95 -36.22 72.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.135 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.0 mt -67.84 -30.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 73.3 111.119 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.06 -30.63 63.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.607 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.1 mm? -72.55 -32.15 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.4 110.945 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.5 t -76.8 -30.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 60.3 111.203 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -70.82 -41.95 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 54.3 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -73.1 -28.54 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.0 111.012 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.97 -49.06 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 72.2 111.187 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -58.74 -46.71 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 55.4 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.27 -35.12 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 62.3 110.982 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -44.93 86.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 74.2 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.01 -30.08 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -27.31 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.914 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 26.43 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 62.1 111.373 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 tttt 57.1 46.16 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 64.1 111.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.97 45.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.936 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -54.08 -30.37 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.133 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.9 -50.28 50.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.17 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.3 110.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.67 81.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.3 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.24 -46.51 89.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.2 111.017 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -70.89 -33.5 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.914 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -76.05 -45.63 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 71.5 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.17 -33.73 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.77 -50.17 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.986 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -57.93 -29.81 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 64.4 111.226 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.0 t -71.82 -36.29 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 55.5 111.092 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.03 -38.69 75.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.83 -35.83 81.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.955 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -68.97 -51.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 73.1 110.985 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 43' ' ' ILE . 36.1 mt -59.5 -38.97 82.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.045 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.56 -30.69 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 51.4 110.964 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.29 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.3 111.036 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 56' ' ' ILE . 13.4 mt -71.54 -45.28 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 63.1 111.205 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -50.86 72.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -79.6 -64.16 1.25 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.139 0.495 . . . . 63.1 111.408 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.71 85.97 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 72.5 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.21 108.94 19.9 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.318 -0.401 . . . . 72.3 111.054 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -89.17 -169.09 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.977 0.418 . . . . 74.3 110.777 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 171.12 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 53.1 110.915 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.11 -35.92 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.879 0.371 . . . . 73.4 110.775 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -63.05 -49.86 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 72.4 111.04 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.91 -36.43 64.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 62.3 111.114 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -69.57 -32.75 71.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 74.4 111.03 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.78 -42.35 61.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.893 -0.594 . . . . 74.3 111.023 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -60.01 -40.77 90.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 74.0 110.952 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 HD11 ' A' ' 43' ' ' ILE . 9.4 mt -70.17 -40.34 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 74.4 111.043 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.1 tpt85 -65.07 -38.08 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.451 -0.341 . . . . 71.2 111.049 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.22 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 63.5 111.339 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -35.71 61.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 71.4 110.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.43 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 61.1 110.978 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -68.04 -44.4 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.1 111.311 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -74.2 -30.79 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.0 111.071 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.65 -39.15 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.041 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.46 -30.29 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.074 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 73.4 111.036 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -80.14 -32.08 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.011 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.08 -32.37 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.5 111.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.0 -44.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.285 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.98 -29.39 67.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 75.4 111.037 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 67' ' ' ALA . 9.2 mt -72.66 -47.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.084 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 74' ' ' LEU . 8.5 ptpt -72.66 -34.21 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.1 111.044 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -28.89 70.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.508 . . . . 74.5 111.41 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.05 -49.79 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 74.1 111.523 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -63.72 -43.17 97.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 61.2 111.672 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.803 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.4 ptp180 -61.67 -31.77 71.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.809 0.338 . . . . 72.1 111.048 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.987 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.79 0.329 . . . . 63.3 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.94 -33.8 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.872 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.7 tp60 -71.96 -34.89 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.68 -40.6 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.932 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.96 -39.67 86.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.143 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt -67.36 -30.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.2 111.117 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -30.26 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.966 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.6 mm? -76.47 -31.09 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 72.2 110.965 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 -30.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.3 111.132 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.3 m -75.63 -34.77 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 31' ' ' LEU . 3.0 tttm -72.99 -30.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.951 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -45.31 41.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.2 111.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 t -58.11 -43.86 87.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 63.4 111.058 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.02 -32.26 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.93 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.18 -38.31 56.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -47.17 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.3 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -75.15 -17.45 60.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.2 111.158 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.79 24.13 4.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.514 -0.312 . . . . 52.2 111.452 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 56.73 44.95 22.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 75.1 111.17 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -123.93 46.11 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 62.5 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -51.89 -38.64 56.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 62.4 111.164 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.45 -46.28 90.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.3 110.81 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -38.93 75.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.15 -32.82 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 70.3 111.086 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.9 -48.54 76.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -34.18 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.037 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.04 -41.06 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.3 110.929 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.8 m-85 -68.49 -47.46 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.875 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.19 -39.16 81.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.3 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.14 -32.59 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.1 110.935 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.0 -38.46 72.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.245 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.4 t -68.99 -32.38 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.242 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.69 -34.81 74.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.953 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -73.01 -30.8 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.4 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.2 m-85 -72.92 -36.3 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.4 110.936 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -39.31 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 63.1 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -71.58 -31.44 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 64.1 110.957 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 74.5 111.011 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.618 HD11 HG22 ' A' ' 56' ' ' ILE . 20.3 mt -75.46 -44.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 51.2 111.349 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.38 69.68 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.936 -0.574 . . . . 43.3 110.948 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.32 -64.01 1.27 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.138 -0.483 . . . . 75.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.62 88.02 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 75.1 110.919 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.38 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.211 -0.449 . . . . 75.3 111.129 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -139.37 -169.46 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.871 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -62.86 172.43 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 74.2 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -37.92 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.533 . . . . 73.3 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.75 -49.81 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.978 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -37.47 64.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.517 -0.31 . . . . 54.5 111.019 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -66.1 -47.23 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.2 -36.99 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 73.1 110.947 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -58.33 -47.28 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 5.9 mt -71.06 -38.84 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 72.1 111.024 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -62.66 -41.43 99.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 75.1 110.926 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.05 70.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.969 -0.56 . . . . 62.2 111.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -69.07 -34.87 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 63.1 111.0 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -34.98 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.001 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.52 -41.97 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.1 111.212 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -74.93 -37.97 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 75.4 111.104 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.02 -35.99 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.022 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.557 ' HG ' HG11 ' A' ' 36' ' ' VAL . 8.7 mt -70.73 -29.96 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 73.4 111.084 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -30.02 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 74.4 111.065 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -73.76 -45.9 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 74.3 111.078 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -58.65 -29.58 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 40.4 111.296 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.82 -43.28 62.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.999 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -30.14 70.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.121 0.486 . . . . 73.3 111.153 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 67' ' ' ALA . 49.1 mt -69.78 -39.57 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 71.3 111.049 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -73.0 -42.27 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.4 111.085 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -28.92 67.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.998 -0.546 . . . . 72.3 111.248 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.05 -49.93 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.352 -0.386 . . . . 64.4 111.53 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -63.8 -38.75 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.946 0.35 . . . . 73.4 111.946 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.3 ptp180 -68.55 -30.4 69.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 72.4 110.994 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 71.3 110.778 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 61.4 110.955 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.91 -37.91 64.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.97 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -68.2 -32.96 73.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmtt -71.86 -32.55 67.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 75.4 110.924 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.703 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -74.7 -39.83 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 50.5 111.122 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.15 -30.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.5 111.209 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.72 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 62.3 111.032 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -73.14 -33.66 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 75.3 110.93 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.0 m -76.39 -30.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 62.2 111.187 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 m -71.86 -37.49 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.1 111.008 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -30.23 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 75.2 111.034 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.77 -47.35 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 111.233 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.8 -35.54 81.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 70.3 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.9 -38.3 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.916 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD2' HD21 ' A' ' 70' ' ' LEU . 3.9 t0 -53.96 -39.26 65.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 75.4 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -75.08 -21.21 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 73.3 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.1 23.96 5.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.502 -0.317 . . . . 73.4 111.535 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.7 40.78 29.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 60.3 111.147 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.29 46.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -51.77 -39.16 58.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 64.5 111.192 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.53 -43.47 89.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -39.61 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -34.73 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.3 111.167 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.5 -43.68 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.3 110.987 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -35.52 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.003 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -70.97 -34.43 71.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.4 111.02 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.9 m-85 -73.01 -46.7 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.958 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.94 -36.47 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.28 -40.16 89.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.4 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -64.17 -30.2 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 74.1 111.244 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.17 -32.83 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 61.3 111.288 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.02 -37.88 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.5 111.008 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -72.89 -32.54 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.2 111.059 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 4.7 m-85 -72.48 -42.25 65.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 54.1 111.005 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 43' ' ' ILE . 18.7 mt -64.79 -46.0 83.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 71.3 111.069 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.87 -36.21 82.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 71.5 110.947 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.79 98.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 71.3 111.021 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.8 HD11 HG22 ' A' ' 56' ' ' ILE . 7.5 mt -67.85 -51.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 64.4 111.21 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 72.3 111.079 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -74.02 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.202 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.09 88.54 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 74.2 110.989 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.13 96.91 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 53.1 111.171 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -77.41 -168.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 73.3 110.698 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -63.08 175.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 64.3 110.706 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.86 -31.27 72.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.888 -0.596 . . . . 73.4 111.048 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -47.99 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.1 110.956 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.89 -44.96 53.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 73.4 111.309 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -59.71 -33.03 71.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.916 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -74.09 -38.18 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 72.1 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -65.61 -40.1 92.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 65.2 110.936 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.8 HG22 HD11 ' A' ' 43' ' ' ILE . 13.3 mt -71.18 -35.78 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.081 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -68.92 -42.96 76.1 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.161 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.15 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.4 111.38 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -70.43 -34.96 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 73.3 110.994 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.7 m -62.56 -37.36 85.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.63 -38.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.4 111.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.88 -35.75 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.4 111.039 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -70.85 -36.42 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 72.4 111.007 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.2 mt -70.77 -29.68 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.2 111.071 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.61 -32.74 66.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 73.3 110.957 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -32.02 60.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 63.2 110.983 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.44 -29.92 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 70.3 111.183 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -70.88 -45.56 64.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 74.2 111.018 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -62.78 -30.42 71.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.409 . . . . 65.1 111.058 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 67' ' ' ALA . 53.3 mt -66.26 -49.99 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.979 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 72.5 110.914 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -30.52 69.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.1 111.369 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.4 -50.52 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 64.4 110.983 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -69.6 -32.73 71.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.072 -0.513 . . . . 73.0 111.399 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 26.5 mtp180 -68.12 -47.73 67.34 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.009 0.433 . . . . 73.4 110.868 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 70.2 110.804 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 54.1 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.94 -41.49 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.614 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.07 -31.14 71.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.01 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.4 mttm -70.98 -37.1 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -67.92 -34.41 76.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 53.4 111.183 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.5 mt -72.27 -30.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 61.3 111.142 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -31.11 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.3 110.977 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.564 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -71.93 -37.77 69.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.931 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.04 -29.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 72.4 111.187 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.75 -41.4 71.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 65.4 110.957 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -29.95 63.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.93 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.04 -48.59 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 43.4 111.21 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' GLU . 6.8 t -59.36 -46.37 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.015 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' THR . 12.8 pt-20 -65.97 -34.03 77.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 64.5 110.898 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -45.55 77.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.9 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' HD21 ' A' ' 70' ' ' LEU . 5.8 t0 -54.52 -30.07 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 73.1 111.072 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -27.44 60.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 61.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.08 27.29 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 65.1 111.32 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 57.18 56.11 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 73.5 111.006 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -123.97 46.14 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 65.4 110.879 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.44 -30.0 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.4 111.096 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.35 -52.22 29.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -35.36 78.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.82 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.2 111.225 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 71' ' ' LYS . 23.8 tp -62.03 -41.9 98.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.911 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -77.97 -33.33 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.964 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.1 mm? -70.61 -37.87 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.4 111.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -73.01 -41.11 64.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.1 111.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.82 -30.31 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.999 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.2 -39.5 75.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.3 111.267 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 32' ' ' TYR . 25.3 t -68.97 -37.54 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.84 -37.36 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 64.3 111.029 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -67.09 -33.99 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.041 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.1 m-85 -72.13 -38.59 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.015 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.08 -39.27 82.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -71.71 -30.89 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 64.4 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.98 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 54.3 111.01 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.99 -46.2 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 63.2 111.103 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -53.1 61.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.956 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -75.29 -63.9 1.18 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.107 -0.497 . . . . 73.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.22 95.13 8.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 71.1 111.056 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.43 151.26 19.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.818 0.342 . . . . 61.3 111.215 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -137.87 -168.07 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 70.3 110.661 -179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 167.51 4.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.412 -0.358 . . . . 74.3 111.303 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.89 -38.36 72.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.97 0.414 . . . . 62.1 110.999 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -48.97 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.994 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -34.65 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 73.2 111.269 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -48.85 51.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.046 -0.525 . . . . 61.2 111.068 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -37.12 85.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 73.4 110.851 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -60.21 -43.77 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 74.2 111.009 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.67 HG22 HD11 ' A' ' 43' ' ' ILE . 10.6 mt -71.26 -40.7 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 73.2 111.004 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -59.85 -48.16 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 61.2 111.035 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.79 71.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.275 -0.42 . . . . 73.4 111.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -70.21 -35.83 74.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 52.1 110.988 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.38 -36.72 85.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.044 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -64.95 -43.61 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.198 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -74.45 -31.15 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.3 111.093 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.95 -35.99 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.048 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.74 -30.52 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.2 111.097 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.03 -30.01 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.089 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -32.04 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.003 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -70.95 -29.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 51.3 111.243 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.39 -39.99 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 73.3 110.948 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.84 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.3 111.141 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.4 mt -69.56 -49.36 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.1 111.002 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.6 -31.94 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.2 111.064 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -29.01 60.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.4 111.294 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -75.21 -49.89 17.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 64.5 111.208 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -62.59 -44.98 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 64.4 111.291 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.753 ' N ' HD12 ' A' ' 74' ' ' LEU . 9.3 ptt85 -61.7 -40.34 94.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 64.5 111.078 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 64.2 110.834 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.792 0.329 . . . . 51.5 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.97 -31.99 63.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.3 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -35.22 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.764 ' O ' HD23 ' A' ' 12' ' ' LEU . 24.1 mttp -70.79 -34.1 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.926 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.5 -40.23 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 71.2 111.16 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.92 -35.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 55.1 111.079 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.71 -31.48 52.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.4 110.917 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.79 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.5 mm? -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' A' ' 35' ' ' ALA . 27.6 m -80.08 -32.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.118 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -68.69 -37.75 79.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.47 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.908 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.55 -46.95 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 75.2 111.144 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -44.16 92.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.959 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.6 -39.54 84.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.5 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.52 -39.19 88.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 71.1 110.849 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -55.07 -41.78 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 70.2 111.037 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.06 -18.01 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.1 111.266 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.334 . . . . 65.1 111.373 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 57.52 30.11 18.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 64.1 111.05 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.92 46.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.791 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -53.07 -30.78 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.4 111.082 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.34 -46.68 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 70.1 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.72 -40.6 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.3 110.924 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.93 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.1 111.074 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.6 -49.09 74.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 61.4 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.948 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 12' ' ' LEU . 2.7 mm? -67.42 -36.91 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 75.4 110.985 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -75.9 -43.48 45.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -61.35 -40.44 94.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.945 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.1 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -69.7 -36.55 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.2 111.143 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HG ' ' A' ' 64' ' ' LEU . 27.6 t -70.32 -34.48 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.4 111.051 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.35 -35.91 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 55.1 111.004 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -72.5 -30.85 64.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.971 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.5 m-85 -69.15 -49.43 56.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 70.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.99 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 63.4 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -66.29 -30.17 70.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.3 111.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.86 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 60.3 111.053 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.853 HD11 HG22 ' A' ' 56' ' ' ILE . 17.3 mt -69.36 -34.02 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.341 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -48.22 23.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.016 -0.538 . . . . 63.3 110.969 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -85.67 -64.07 1.22 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 64.3 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.89 57.92 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.108 0.48 . . . . 70.1 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 144.7 56.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.093 -0.503 . . . . 60.2 110.971 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -134.92 -165.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.462 -0.335 . . . . 74.5 110.755 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 173.43 1.36 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.373 -0.376 . . . . 74.4 110.768 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -31.24 69.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 50.4 111.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.77 -46.14 89.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 74.1 111.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.68 -42.54 61.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 63.2 111.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -59.21 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 75.4 110.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.8 -36.75 80.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.017 -0.538 . . . . 71.1 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -64.32 -48.24 76.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.2 111.193 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.853 HG22 HD11 ' A' ' 43' ' ' ILE . 8.0 mt -67.55 -42.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 74.2 111.201 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -59.93 -36.14 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.943 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.48 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 55.2 111.126 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -75.0 -44.91 45.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.1 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 36' ' ' VAL . 31.9 p -64.79 -41.08 96.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 61.5 111.141 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 p -66.82 -36.07 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 73.3 111.237 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -41.43 76.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.855 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' HB2' HG22 ' A' ' 36' ' ' VAL . 27.7 m-85 -70.99 -36.63 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 64.1 111.002 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.81 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.7 mt -59.96 -43.31 95.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 64.1 111.007 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.74 -38.41 83.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 62.1 110.97 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -36.5 79.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.938 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -65.39 -45.85 82.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.17 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.12 -32.17 70.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.1 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -67.06 -39.05 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.462 . . . . 53.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' ALA . 2.8 mt -68.57 -39.56 80.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.951 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.58 -33.13 70.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.188 -0.46 . . . . 53.4 111.271 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.1 -50.31 66.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.943 -0.572 . . . . 74.1 110.96 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -71.75 -32.72 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.56 . . . . 73.4 111.027 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -65.19 -43.94 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 53.5 110.911 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 50.3 110.857 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.806 0.336 . . . . 72.3 111.172 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 p -108.71 132.09 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 51.3 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.452 HG21 ' HE3' ' A' ' 8' ' ' LYS . 11.7 m -84.83 129.4 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 51.2 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 m -113.99 -178.89 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 53.3 110.923 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.3 m -73.49 -39.44 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 51.5 110.915 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -34.48 64.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.901 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -37.29 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.722 ' O ' HD23 ' A' ' 12' ' ' LEU . 14.9 mttp -67.8 -30.67 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 63.1 111.022 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.69 -34.2 73.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.2 111.193 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -73.05 -34.22 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 55.1 111.147 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -30.75 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.4 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.8 mm? -66.8 -36.56 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 72.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.44 -30.75 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 72.3 111.191 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -71.56 -35.76 70.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 73.4 110.948 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -30.19 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.002 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -74.84 -45.69 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 75.2 111.208 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -58.87 -45.04 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 75.5 111.014 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.72 -36.38 80.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 73.5 110.844 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.958 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD2' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -53.97 -38.46 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 70.2 110.976 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.03 -19.92 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.7 27.49 3.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.513 -0.312 . . . . 65.1 111.4 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tttt 57.38 31.12 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 64.1 111.064 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -109.04 46.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.811 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.93 -34.69 42.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 64.4 111.101 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.46 -48.08 76.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 70.1 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -40.32 91.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.02 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.1 111.169 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 71' ' ' LYS . 6.6 tp -64.61 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 61.4 110.952 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -78.67 -32.6 47.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.034 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.827 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.6 mm? -71.0 -49.79 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.958 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m-85 -64.91 -39.66 93.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.964 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.96 -40.29 91.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.026 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.07 -42.47 94.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.011 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.771 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.77 -41.12 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.2 111.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.684 HG11 ' HG ' ' A' ' 64' ' ' LEU . 24.7 t -63.54 -31.12 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.245 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -38.33 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.1 111.058 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.05 -32.27 64.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.023 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.0 m-85 -66.32 -53.93 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 70.0 111.047 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.69 -46.07 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.87 -34.31 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.3 111.063 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.79 72.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 60.3 111.147 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.513 HD11 HG22 ' A' ' 56' ' ' ILE . 20.9 mt -77.91 -44.67 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 74.4 111.332 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -52.61 64.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.119 -0.492 . . . . 63.3 111.034 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.08 -64.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.852 0.358 . . . . 64.3 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -87.44 82.51 7.5 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.035 -0.529 . . . . 70.1 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.19 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.48 -0.327 . . . . 60.2 110.978 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -108.1 -165.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 74.5 110.842 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.71 174.29 1.07 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.318 -0.401 . . . . 74.4 111.169 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.371 -0.377 . . . . 50.4 111.035 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.02 -45.27 93.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 74.1 111.115 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.93 -42.06 61.15 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.087 -0.506 . . . . 63.2 111.277 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -47.44 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 75.4 110.957 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.59 -37.08 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 71.1 110.988 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -63.18 -47.48 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.532 . . . . 72.2 111.063 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG22 HD11 ' A' ' 43' ' ' ILE . 6.4 mt -71.3 -42.02 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 74.2 110.949 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.726 0.298 . . . . 72.3 111.134 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.54 -28.15 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 55.2 111.021 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.98 -46.3 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.1 111.173 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.51 -41.75 96.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 61.5 111.274 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.31 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 73.3 111.242 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -39.44 73.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.1 110.993 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -71.01 -36.11 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 64.1 111.046 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HG ' HG11 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -61.91 -36.12 80.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.1 111.04 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 62.1 111.027 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.056 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -58.66 -29.41 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.26 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.6 -32.04 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 71.1 110.911 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.44 -33.5 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 53.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.441 HD22 ' OD2' ' A' ' 20' ' ' ASP . 69.6 mt -64.87 -36.77 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.037 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.1 tttt -66.82 -46.88 73.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.066 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -29.21 70.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 53.4 110.963 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -72.2 -49.56 34.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.213 -0.449 . . . . 74.1 111.111 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -72.46 -34.33 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' N ' HD12 ' A' ' 74' ' ' LEU . 1.5 mtt-85 -65.39 -46.33 80.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.107 -0.497 . . . . 53.5 111.058 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -62.68 -45.54 92.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.022 -0.535 . . . . 50.3 111.046 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.135 -0.936 . . . . 62.5 111.017 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.831 0.348 . . . . 74.1 111.162 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -139.67 167.5 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 63.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -83.46 103.54 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.929 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -179.65 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.798 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -67.34 -30.96 70.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 73.4 111.089 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -49.32 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 65.1 110.948 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.34 -33.19 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 61.3 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.8 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 mttt -69.29 -39.17 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.944 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -68.52 -36.87 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 54.3 111.251 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.81 -31.41 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -30.44 39.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 75.2 110.971 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.836 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.6 mm? -70.27 -45.28 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 65.5 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' A' ' 35' ' ' ALA . 17.1 m -65.14 -28.83 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 61.3 111.326 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -75.22 -33.89 61.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 64.1 111.004 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.8 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.1 110.975 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.49 -46.95 29.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 63.0 111.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -57.91 -46.74 84.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 72.0 111.034 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.28 -42.67 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 63.1 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.24 -42.22 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.837 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.89 -33.19 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.974 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -23.27 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 44.3 111.025 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 25.96 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 71.1 111.474 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 38.69 29.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.376 -0.375 . . . . 64.5 111.095 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -107.97 46.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 50.5 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -52.17 -30.34 26.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.096 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.7 -47.85 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 54.1 110.923 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.05 -38.86 66.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 73.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.49 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.206 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -49.83 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -67.79 -36.0 79.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.953 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 71.4 111.048 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.562 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -74.33 -54.11 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 73.1 110.928 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.61 -30.82 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 73.0 111.027 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 72.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -70.98 -30.22 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 61.1 111.226 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.784 HG11 ' HG ' ' A' ' 64' ' ' LEU . 25.3 t -76.45 -31.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.12 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.33 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.088 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -73.0 -40.43 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.063 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.2 m-85 -63.19 -44.15 96.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 71.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.62 -42.93 98.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 60.3 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.93 -30.72 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.941 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.17 81.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 71.5 111.066 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 56' ' ' ILE . 14.7 mt -72.87 -44.22 58.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.056 -0.52 . . . . 61.4 111.063 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -52.8 63.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.88 0.372 . . . . 53.2 111.083 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -76.36 -64.23 1.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.894 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.35 89.84 6.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.579 . . . . 72.5 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.77 124.53 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 50.4 111.273 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 m-70 -106.41 -169.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 70.3 110.95 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -63.34 171.73 2.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 55.4 110.764 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.89 -36.22 76.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.317 -0.401 . . . . 73.4 110.817 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.33 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 73.3 111.06 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -34.35 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 54.3 111.242 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -69.44 -33.6 73.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 74.4 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.0 -42.22 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.1 110.916 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -44.59 93.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 72.1 111.152 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 43' ' ' ILE . 7.2 mt -70.53 -35.14 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.562 . . . . 74.1 111.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 tpt85 -66.21 -41.39 90.21 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-N 115.944 -0.571 . . . . 72.1 111.099 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.07 -27.53 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 65.5 111.366 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -67.43 -50.9 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 63.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.0 p -59.35 -35.75 74.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 72.3 111.132 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 57' ' ' ARG . 35.4 t -64.3 -36.82 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 62.2 111.29 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -35.94 63.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 51.1 111.017 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -71.07 -36.12 72.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 75.4 111.03 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.784 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.2 mt -64.83 -30.2 71.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.5 111.027 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.31 70.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 62.5 111.059 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -41.53 79.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.058 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -60.88 -45.52 94.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 30.1 111.227 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.84 -32.27 69.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.929 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -29.43 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.923 0.392 . . . . 64.4 111.254 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.43 -50.02 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.5 111.056 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -65.01 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.3 111.078 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -29.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 74.4 111.079 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.85 -49.52 14.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 64.3 111.157 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 72.4 111.436 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.39 -43.88 89.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.156 -0.475 . . . . 72.3 111.041 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.5 p -68.66 -44.02 74.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.577 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 tttp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.929 . . . . 73.1 110.936 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.803 0.335 . . . . 72.3 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 p -126.38 140.68 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.1 110.913 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.6 p -107.56 116.74 32.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 62.1 110.981 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.47 174.21 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -78.03 -33.01 51.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 60.1 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.77 -40.46 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 55.4 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.99 -33.31 71.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.955 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.3 mtmm -75.35 -30.46 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 63.4 111.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.48 -37.76 77.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 41.2 111.191 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.98 -30.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.083 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -30.76 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 74.5 111.02 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -76.74 -30.59 56.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.951 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.7 t -74.63 -30.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 74.2 111.182 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -73.85 -39.89 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.992 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -27.54 61.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.4 111.019 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.82 -42.44 49.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 75.5 111.25 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -66.05 -46.18 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.017 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -30.05 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 74.3 110.933 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.9 -45.12 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.14 -31.31 61.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 73.1 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -25.52 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 64.1 110.955 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.59 27.54 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 63.2 111.441 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 57.09 32.66 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 74.1 111.119 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.54 46.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.395 . . . . 64.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -50.57 -44.93 56.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 74.2 111.192 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -42.37 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.3 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -42.77 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 51.2 110.766 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.0 69.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 71' ' ' LYS . 8.9 tp -60.42 -49.27 78.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.953 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -32.9 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.899 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.7 mm? -71.02 -39.16 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.962 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -70.96 -49.05 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.15 -30.35 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.986 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.39 -43.86 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 61.4 110.953 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 61.3 111.126 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -68.55 -32.67 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 70.0 111.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.53 -34.87 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 71.4 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -73.03 -33.54 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 44.4 111.06 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG23 ' A' ' 56' ' ' ILE . 7.8 m-85 -72.15 -42.79 65.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.3 110.973 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.5 110.987 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -64.78 -38.78 92.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 54.1 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.08 95.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.1 111.069 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.8 mt -66.95 -49.07 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.148 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -52.99 63.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.3 111.011 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.78 -64.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 74.3 111.127 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -98.38 90.54 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 75.2 110.902 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.76 153.27 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 71.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -135.68 -169.2 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 75.4 110.81 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.48 169.45 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.472 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.121 -0.491 . . . . 45.2 110.931 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.73 -50.25 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.95 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.14 -35.01 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.746 -0.661 . . . . 73.5 111.207 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -67.88 -36.56 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 62.5 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -37.1 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.84 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -64.36 -45.08 89.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 61.4 111.056 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 15.2 mt -70.7 -41.09 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 71.4 111.394 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.9 tpt85 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 73.1 111.122 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.74 -29.91 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 61.3 111.068 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 30.8 mttt -70.81 -36.93 73.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 63.5 110.984 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.82 -34.96 79.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -63.87 -46.94 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.2 111.307 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -30.91 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.3 111.041 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 8.7 m-85 -70.98 -35.9 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 72.2 111.023 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.49 -30.91 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 54.1 111.074 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -29.4 60.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.046 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -32.37 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 75.2 111.014 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.21 -34.88 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 62.3 111.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.01 -37.61 83.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.24 -0.436 . . . . 61.4 110.866 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -72.85 -29.92 63.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.957 0.408 . . . . 73.4 111.414 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.58 -48.83 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 65.4 111.104 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 29' ' ' LEU . 36.3 tttt -63.58 -45.86 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 75.1 111.036 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -28.91 69.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.97 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.26 -50.39 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 64.4 111.386 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -70.14 -36.23 74.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.301 -0.409 . . . . 74.4 111.601 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.2 mtt180 -67.31 -48.96 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 74.3 110.799 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.4 m -63.31 -57.0 11.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.552 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.254 -0.879 . . . . 72.1 110.81 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.845 0.355 . . . . 75.0 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p -141.51 168.23 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.966 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 m -106.26 108.54 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 75.1 110.884 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.76 175.99 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m -72.69 -32.8 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.929 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.32 -38.92 78.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.954 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -69.53 -40.31 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.873 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.638 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -66.46 -30.42 70.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 72.2 110.962 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.26 -42.17 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.213 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.32 -30.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.2 111.163 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -30.11 67.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 64.1 110.98 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 31' ' ' LEU . 3.8 mm? -76.0 -30.75 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 70.3 111.025 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' ALA . 27.6 t -74.17 -30.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.183 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -71.67 -37.72 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 60.1 111.0 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -73.04 -29.93 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 64.1 110.965 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.67 -47.48 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.217 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -58.8 -46.57 87.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.999 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.47 -37.35 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 65.3 110.927 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.57 -47.76 80.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -28.27 42.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.165 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -72.95 -29.57 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 73.5 110.984 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.84 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 70.3 111.285 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 56.41 58.06 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.025 0.441 . . . . 74.3 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.31 46.02 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 51.1 110.85 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -52.54 -30.7 31.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.067 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.26 -51.91 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 75.5 110.866 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.6 tp10 -67.26 -40.73 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.901 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.91 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.3 111.123 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HE ' ' A' ' 30' ' ' ARG . 6.1 tp -60.82 -43.39 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.921 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HE ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -78.65 -31.53 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.6 mm? -71.02 -38.23 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 63.4 110.952 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -75.6 -45.42 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.4 111.003 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.78 -29.77 67.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 54.0 110.998 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.07 -47.27 59.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 74.2 110.974 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.21 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.252 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.3 t -69.58 -36.73 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 72.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.04 -31.35 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.2 111.042 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -73.08 -35.05 66.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 65.1 111.045 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.2 m-85 -70.94 -47.93 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.4 111.073 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.93 -43.85 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 73.3 110.988 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.29 -30.42 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.039 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.2 91.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.244 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.649 HD11 HG22 ' A' ' 56' ' ' ILE . 4.7 mt -73.01 -46.17 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.911 -0.586 . . . . 74.3 111.484 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -60.02 -39.1 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.2 111.079 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -91.02 -63.95 1.2 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.55 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -97.31 91.85 5.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.972 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.37 173.03 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 75.2 111.074 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -158.79 -169.26 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.0 110.856 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -63.1 170.12 3.01 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.107 0.479 . . . . 73.2 110.451 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -39.75 82.32 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.56 -0.745 . . . . 74.3 111.023 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -58.96 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 73.4 111.123 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -29.94 61.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.995 -0.548 . . . . 71.1 111.071 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -74.14 -48.88 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.67 0.272 . . . . 72.0 111.063 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -37.08 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 63.2 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -59.01 -50.32 74.56 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.156 -0.474 . . . . 71.1 110.875 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.649 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.02 -36.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.166 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.89 -52.1 61.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.382 -0.372 . . . . 75.4 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 71.3 111.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -70.21 -36.28 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 71.2 111.008 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -63.89 -35.98 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 52.1 111.022 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 -39.64 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.1 111.291 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -31.89 61.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.973 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.91 -35.97 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 65.0 111.031 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.0 mt -71.09 -29.3 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.059 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -30.9 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 73.1 111.014 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -42.61 36.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 72.4 110.982 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -64.28 -30.07 71.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 61.2 111.273 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.29 -37.55 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 70.2 111.065 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.94 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.99 0.424 . . . . 72.2 111.174 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 67' ' ' ALA . 80.1 mt -67.43 -38.74 85.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.1 110.958 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.69 -46.08 63.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 53.5 111.014 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -28.82 66.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 63.5 111.136 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -76.48 -49.9 15.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.273 -0.421 . . . . 72.4 111.158 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -71.68 -32.42 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 52.0 111.275 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.46 -36.4 65.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 75.5 110.87 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -67.33 -31.81 72.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 63.5 110.976 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.368 -0.825 . . . . 73.2 110.705 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.821 0.343 . . . . 73.4 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 m -87.79 113.59 23.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.4 111.002 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 t -129.01 168.07 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.902 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t -61.59 162.54 8.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 60.1 110.756 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -31.45 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 52.2 110.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.14 -45.63 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 62.3 110.932 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.38 -30.93 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.028 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 mttm -67.75 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.999 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.76 -35.7 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.5 111.216 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.1 mt -71.85 -29.69 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -29.58 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.392 . . . . 43.3 111.005 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.3 mm? -76.6 -30.45 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 70.4 110.993 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.0 t -80.03 -29.91 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 63.5 111.181 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.8 m -70.08 -39.36 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 75.3 110.988 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -72.86 -46.18 54.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 45.1 111.255 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 t -59.12 -43.52 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 73.3 111.046 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.98 -38.26 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.999 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.25 -42.73 88.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 62.2 111.012 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -53.95 -34.46 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 72.1 111.023 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -23.22 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 75.2 111.097 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.17 26.73 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 73.3 111.42 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.66 36.97 28.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 62.1 111.028 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -109.44 46.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.1 110.769 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -51.55 -34.97 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -67.03 -40.87 87.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.894 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.1 tp10 -72.84 -32.17 65.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.955 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.81 80.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 73.3 111.176 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.63 -48.25 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.5 110.957 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -70.72 -33.93 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.9 mm? -71.04 -40.19 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 62.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -69.79 -46.56 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.954 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.3 -31.44 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.5 111.033 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.82 -37.28 76.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.032 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -67.55 -40.21 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 70.3 111.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -60.02 -42.57 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.203 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.05 -47.96 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 63.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -61.16 -39.46 90.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.02 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 3.5 m-85 -60.85 -53.02 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.965 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 43' ' ' ILE . 2.0 mp -59.62 -45.96 90.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 51.3 110.973 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -60.67 -30.54 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 73.1 110.988 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.03 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.208 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 56' ' ' ILE . 7.9 mt -78.05 -47.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 74.5 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -53.05 62.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.365 -0.38 . . . . 75.5 110.977 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -73.62 -64.32 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.007 0.432 . . . . 52.3 111.211 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.64 82.41 3.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 72.1 110.938 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.94 123.57 30.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.121 -0.491 . . . . 75.5 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -106.3 -165.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.87 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.69 171.51 2.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.335 -0.393 . . . . 70.4 111.302 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -34.03 71.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.707 0.289 . . . . 73.1 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.5 86.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 75.3 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -32.28 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.212 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -67.66 -47.49 69.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 65.5 110.934 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.97 -38.55 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 60.3 110.841 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -60.27 -48.8 80.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.352 -0.386 . . . . 55.1 110.894 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 10.1 mt -71.19 -39.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.1 111.154 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.7 tpt85 -60.23 -37.18 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 73.4 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.01 -28.05 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.4 111.163 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -68.51 -51.08 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.3 111.163 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.59 -40.37 83.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 75.4 111.188 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 57' ' ' ARG . 38.3 t -61.69 -36.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 54.2 111.139 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -36.3 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 63.4 111.076 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -70.98 -36.29 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.021 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.56 -39.5 93.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.987 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.5 -48.08 76.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 54.4 111.105 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -60.85 -46.63 89.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.2 111.083 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -57.67 -28.85 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.261 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.56 -39.14 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.397 . . . . 62.1 111.179 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -33.35 74.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.224 0.535 . . . . 72.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 67' ' ' ALA . 73.2 mt -64.1 -39.47 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 65.2 111.06 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -66.97 -47.77 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.028 0.442 . . . . 74.2 110.966 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -29.04 70.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.266 -0.424 . . . . 70.1 111.374 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.94 -50.05 32.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.166 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -74.53 -38.74 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.143 0.497 . . . . 70.5 111.241 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.5 mtp180 -60.92 -53.14 60.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 73.2 110.847 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -59.88 -51.66 68.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 74.3 111.047 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.304 -0.855 . . . . 75.2 110.922 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.784 0.326 . . . . 60.3 111.225 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 m -135.49 141.45 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.889 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -96.45 116.16 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 65.2 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.74 177.64 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 60.1 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m -78.04 -39.5 41.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -34.61 63.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -70.05 -31.09 68.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 63.4 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 12' ' ' LEU . 13.0 mtmm -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.39 -32.09 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 63.2 111.202 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.4 mt -73.05 -30.29 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 55.1 111.158 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 60.2 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.1 mm? -73.03 -30.68 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 74.3 111.036 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 9' ' ' ALA . 31.7 t -74.14 -30.66 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 50.4 111.182 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -72.24 -40.35 67.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -27.83 62.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.5 111.048 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.688 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -71.91 -49.59 36.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 60.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.66 -46.96 86.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 74.4 111.146 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.24 -29.91 70.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 63.3 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.57 -39.48 58.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 75.5 111.03 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -48.03 70.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 63.1 111.011 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -16.3 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 74.3 111.362 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.12 24.52 4.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 52.0 111.495 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 56.41 38.17 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 71.4 111.091 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.74 46.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.2 110.801 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -52.87 -38.14 61.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.2 111.18 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -52.33 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.06 -39.99 94.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.98 69.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 61.1 111.177 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD21 ' HE3' ' A' ' 71' ' ' LYS . 4.9 tp -63.02 -45.89 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.4 111.052 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -77.75 -30.8 51.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.964 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' CD1' ' A' ' 12' ' ' LEU . 2.8 mm? -69.82 -43.47 71.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.978 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -69.19 -46.76 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.968 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.62 -31.03 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 62.2 111.035 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.79 -45.78 60.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 73.4 111.075 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.61 -33.61 70.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.202 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.3 t -71.18 -32.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 73.3 111.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.97 -33.82 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 54.4 111.038 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.96 -31.32 64.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 71.1 111.009 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 18.9 m-85 -72.51 -46.7 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.031 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.57 -41.77 90.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 53.2 111.073 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.8 t60 -68.31 -34.26 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 61.3 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.87 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 56' ' ' ILE . 5.1 mt -73.51 -46.38 48.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.118 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -45.11 92.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 62.5 111.023 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 8.8 m-85 -81.92 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 72.3 111.386 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -98.3 93.58 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 73.5 110.974 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.82 107.63 18.76 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.888 0.375 . . . . 34.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 51.6 m-70 -83.65 -174.66 5.41 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.857 -0.611 . . . . 71.0 110.745 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -63.19 173.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.636 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -42.2 79.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 72.2 111.079 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.77 -49.4 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 43.1 110.771 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.09 -34.58 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.672 -0.24 . . . . 63.4 111.03 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -71.56 -35.27 70.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.822 0.344 . . . . 70.4 110.905 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -74.08 -37.07 64.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 71.3 110.828 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 72.3 111.024 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 43' ' ' ILE . 15.0 mt -71.32 -39.7 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.065 -0.516 . . . . 54.2 110.993 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -59.4 -45.03 92.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 74.2 110.918 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.58 -29.82 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 72.1 111.008 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -69.37 -38.88 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.991 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.7 m -65.42 -32.94 74.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 63.2 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.3 t -65.44 -42.57 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.284 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.3 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.474 ' HB3' HG22 ' A' ' 36' ' ' VAL . 12.9 m-85 -71.11 -36.01 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.018 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -73.46 -29.82 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.4 111.151 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.15 -30.93 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 61.4 111.061 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -32.16 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.3 111.002 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -66.73 -29.98 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.249 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -32.05 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 65.2 110.976 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -73.44 -30.17 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.155 -0.475 . . . . 71.3 111.002 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.2 mt -70.17 -35.94 74.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.021 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' HD21 ' A' ' 29' ' ' LEU . 8.2 tttt -73.31 -47.17 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 72.0 110.99 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -28.93 66.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.958 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -76.3 -50.34 14.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 72.4 111.084 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -70.29 -36.96 74.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 74.3 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.9 ttt180 -72.68 -31.15 64.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.281 -0.418 . . . . 55.5 110.889 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 m -68.66 -50.8 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.94 0.4 . . . . 63.5 110.898 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.285 -0.864 . . . . 71.5 110.916 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.827 0.346 . . . . 74.2 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 p -67.0 158.33 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 70.1 110.898 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 p -96.53 154.67 17.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 73.5 110.884 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 -176.08 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.4 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -72.36 -31.37 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.948 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.5 -44.37 67.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.914 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -64.08 -37.36 87.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 55.2 110.98 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HD23 ' A' ' 12' ' ' LEU . 21.7 mttt -65.49 -43.31 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 54.2 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.91 -38.85 87.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 75.3 111.138 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.6 mt -68.21 -29.52 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 73.5 111.205 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.62 -35.25 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.001 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -69.0 -30.44 68.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 73.0 111.019 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.5 t -77.26 -29.64 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 74.1 111.23 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -69.38 -42.78 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.116 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 53.3 111.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -44.3 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 73.3 111.411 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 51.4 111.12 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.84 -30.74 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 74.2 110.95 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -38.53 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 63.4 111.013 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -48.09 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.5 111.04 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.01 -15.63 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.345 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.39 26.72 3.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.744 0.307 . . . . 73.3 111.464 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 56.44 29.88 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 70.5 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -110.9 46.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -51.86 -43.77 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.4 111.164 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.11 -45.65 90.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -39.19 79.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.4 110.88 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.62 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.183 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.25 -39.96 93.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.42 -38.27 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 12' ' ' LEU . 4.2 mm? -71.14 -32.58 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 62.2 110.9 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 m-85 -72.2 -42.43 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.95 -30.41 70.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 52.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -69.46 -37.58 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.971 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -69.09 -30.33 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 53.1 111.137 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.7 t -73.33 -33.12 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 75.3 111.145 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.95 -33.07 71.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.029 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.95 -36.66 67.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 62.5 110.98 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 20.4 m-85 -66.61 -44.28 82.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 70.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.82 -46.07 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.2 111.08 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -66.76 -30.9 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.02 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.7 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 72.4 110.98 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.847 HD11 ' CG2' ' A' ' 56' ' ' ILE . 7.5 mt -77.92 -39.1 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.983 0.421 . . . . 74.1 111.301 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -53.05 60.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 74.2 110.953 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 41.9 m-85 -82.69 -64.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.463 -0.335 . . . . 72.1 110.867 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -85.19 78.71 9.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.144 0.497 . . . . 73.3 110.796 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 128.74 34.75 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 75.1 111.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -114.82 -167.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.4 110.835 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -62.65 172.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.111 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.54 -0.3 . . . . 73.5 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.08 87.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 64.4 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.7 -43.62 58.78 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.032 0.444 . . . . 51.0 111.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 74.3 110.958 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.95 -38.42 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 61.3 111.083 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.82 -44.57 93.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 61.1 111.155 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.847 ' CG2' HD11 ' A' ' 43' ' ' ILE . 14.1 mt -70.76 -42.99 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.164 0.507 . . . . 65.3 111.371 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -59.74 -36.08 75.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.838 -0.619 . . . . 71.1 110.961 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.14 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.975 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -35.0 62.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 72.2 111.035 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -58.67 -51.02 71.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 74.1 111.089 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 72.3 111.278 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -42.05 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 71.4 111.069 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.19 -36.29 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.991 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 36' ' ' VAL . 10.1 mt -67.29 -37.57 83.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 62.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.03 -44.91 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 73.4 111.064 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.88 -44.91 96.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.031 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 50.4 111.279 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.46 -32.0 69.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.2 111.021 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -72.78 -32.27 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 51.1 110.975 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 67' ' ' ALA . 45.7 mt -66.88 -46.09 76.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 61.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.69 -48.32 82.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 63.2 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -30.23 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.1 111.21 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -69.03 -50.08 51.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 74.1 111.026 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.32 -31.29 63.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.176 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -66.49 -44.31 82.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 75.1 111.058 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -54.9 37.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 74.1 110.673 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.228 -0.891 . . . . 74.4 110.889 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.863 0.364 . . . . 72.2 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.4 p -111.61 149.68 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 73.3 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.5 p -111.33 102.2 10.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.973 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -176.05 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.849 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -72.18 -41.29 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.864 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.71 -43.87 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.3 tm0? -63.86 -31.38 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 64.4 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -71.27 -34.3 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.941 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 52.2 111.173 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 7' ' ' GLN . 14.5 mt -72.06 -30.62 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.143 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -31.49 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 8' ' ' LYS . 4.0 mm? -74.08 -31.15 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 55.1 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 9' ' ' ALA . 28.5 t -74.99 -30.23 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -74.17 -40.89 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 53.1 110.909 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.56 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.4 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.74 -49.14 41.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.135 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.3 t -59.38 -47.8 84.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.994 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 17' ' ' THR . 18.3 pt-20 -62.83 -40.56 97.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 64.3 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.91 97.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -30.45 49.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.055 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -75.01 -25.74 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.985 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 28.36 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 73.2 111.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 58.53 56.22 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 63.5 110.9 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -123.95 46.03 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -54.02 -36.92 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.1 111.112 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -39.95 79.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.958 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -40.48 65.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 73.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.62 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.259 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 71' ' ' LYS . 49.2 tp -61.46 -50.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.5 110.966 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -72.34 -31.07 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 70.3 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.551 HD13 HD12 ' A' ' 12' ' ' LEU . 2.7 mm? -70.98 -47.54 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.941 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -65.88 -41.52 91.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.3 111.004 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.47 -30.98 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.98 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -48.34 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 61.2 110.968 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.59 -29.88 66.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.292 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -74.2 -34.06 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.183 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.05 -34.67 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.1 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.63 -34.2 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 71.2 111.023 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -69.39 -44.11 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 61.5 111.019 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.37 -43.17 99.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 73.3 111.012 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.93 -30.75 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.099 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.7 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.3 111.224 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.61 -48.12 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 50.2 111.469 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -58.69 -50.25 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.16 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 72.0 111.344 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -98.83 91.28 5.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.353 . . . . 74.3 110.99 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 148.4 22.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 53.4 111.019 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -127.96 -168.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 70.3 110.76 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -62.73 168.3 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 44.2 110.95 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.78 69.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 70.2 111.193 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -64.78 -49.69 69.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.995 -0.548 . . . . 72.1 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.64 -30.89 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 71.3 111.194 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -72.13 -34.59 68.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.368 -0.378 . . . . 73.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.31 -41.77 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.2 111.001 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -44.62 95.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.848 0.356 . . . . 71.3 110.966 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.631 HG22 HD11 ' A' ' 43' ' ' ILE . 14.4 mt -71.12 -46.5 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 74.1 111.029 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpt85 -58.73 -47.29 85.11 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.07 -0.513 . . . . 75.5 111.031 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -30.0 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 53.1 111.048 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.17 -35.4 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 74.0 111.029 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.6 -35.62 81.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 60.2 111.056 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.21 -50.02 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 54.0 111.265 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -30.0 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.2 111.117 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.64 -35.97 75.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.38 -29.85 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 62.4 111.113 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -33.88 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 61.4 111.057 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -76.52 -32.04 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 72.1 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.66 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.4 111.2 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -46.92 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.883 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -60.98 -29.25 69.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 75.0 111.245 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.98 -49.97 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.3 111.143 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 ptpt -66.21 -31.4 72.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.126 0.489 . . . . 74.2 111.03 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.73 -29.07 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.868 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.73 -47.63 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.383 -0.371 . . . . 61.3 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 71' ' ' LYS . 2.8 pp -71.01 -41.85 70.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.235 -0.438 . . . . 54.4 111.158 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.7 mtp-105 -60.2 -53.59 55.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 74.1 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -56.84 16.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.223 -0.444 . . . . 65.2 110.976 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.522 -0.751 . . . . 74.2 110.881 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 52.4 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -156.67 126.12 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 61.2 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.479 HG22 ' HG2' ' A' ' 8' ' ' LYS . 25.0 m -118.13 128.17 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 60.3 110.924 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -177.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 75.2 110.887 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -31.63 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.023 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.89 -44.64 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.88 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.8 mm100 -67.46 -30.8 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 74.3 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HG2' HG22 ' A' ' 3' ' ' THR . 12.3 mmtt -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -63.74 -34.89 78.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.4 111.222 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.88 HD12 ' HA ' ' A' ' 7' ' ' GLN . 18.2 mt -67.28 -29.56 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 54.3 111.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -76.62 -35.05 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 70.5 111.062 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.8 t -70.71 -30.53 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.164 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 -39.13 54.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 73.3 111.041 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -72.92 -29.65 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -75.96 -46.05 31.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 111.239 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -58.46 -43.53 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 52.4 111.069 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.12 -30.85 70.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.5 -42.21 65.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.111 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.95 -38.85 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -74.93 -22.04 58.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 74.1 111.035 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.63 25.29 4.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.48 -0.327 . . . . 75.1 111.475 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 56.66 40.89 29.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 73.1 111.033 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -115.23 46.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -52.63 -30.86 33.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 74.1 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -47.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 64.4 110.898 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -37.86 72.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 63.5 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -32.05 68.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.1 111.142 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.38 -44.71 78.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.52 -32.68 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.4 mm? -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.2 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.0 m-85 -67.23 -40.78 86.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 62.3 110.967 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -59.34 -31.37 69.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 72.5 111.027 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.83 -41.98 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 72.3 111.046 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.71 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 72.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -64.18 -49.47 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 72.1 111.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.71 -30.75 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 73.4 111.005 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.1 m-85 -74.07 -42.92 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.987 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.45 -46.13 91.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 74.3 111.014 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.434 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.6 t60 -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.5 111.011 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -35.62 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 61.4 111.084 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.742 HD11 ' CG2' ' A' ' 56' ' ' ILE . 9.9 mt -77.97 -44.77 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 64.2 111.225 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -52.91 63.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.859 -0.61 . . . . 73.4 111.113 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 11.3 m-85 -76.54 -64.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.83 79.91 5.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 73.2 110.933 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.0 122.57 28.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.245 -0.434 . . . . 75.4 110.957 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -105.23 -166.92 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 74.4 110.755 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.62 172.06 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 42.1 111.031 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -31.49 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 64.3 111.058 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -63.08 -45.21 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.977 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.9 -44.05 56.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 63.2 111.094 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -59.24 -48.79 80.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.054 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.71 -40.17 91.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 72.2 111.0 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -60.02 -46.79 88.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 32.3 111.1 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' A' ' 43' ' ' ILE . 10.8 mt -70.95 -46.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.398 -0.365 . . . . 74.2 111.195 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.4 tpt85 -59.66 -37.35 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.2 111.007 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.85 -30.75 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.0 111.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -40.02 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 61.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.97 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.7 t -65.66 -49.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.4 111.257 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.7 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 63.5 111.147 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -70.05 -36.13 74.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 73.4 110.95 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.91 -31.03 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.34 -0.391 . . . . 62.5 110.907 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.02 -31.09 61.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 73.1 110.972 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -46.73 39.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.5 111.011 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.75 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 72.2 111.255 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.51 -32.37 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.48 62.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.92 0.39 . . . . 64.5 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.2 -50.05 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 52.2 111.033 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -39.91 94.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 61.4 111.083 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -29.57 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.3 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -71.56 -50.21 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.86 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.5 pp -71.74 -39.63 69.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.12 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.2 mtt85 -62.15 -52.13 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 62.3 111.0 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 m -60.25 -44.35 95.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.405 . . . . 63.3 110.922 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 tttp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.177 -0.916 . . . . 64.3 110.819 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.879 0.371 . . . . 52.3 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 m -109.11 128.03 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.864 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 8' ' ' LYS . 17.9 m -75.99 137.03 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 64.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -97.97 171.15 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 53.3 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -76.16 -32.98 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 50.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.0 -45.56 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 63.1 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.3 tp60 -62.42 -30.84 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.5 mttt -69.6 -41.81 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 74.2 110.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.41 -33.8 76.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.184 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.9 mt -70.32 -29.51 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.3 111.205 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.4 -30.18 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 62.1 111.073 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -73.51 -44.77 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.911 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.19 -28.98 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 53.3 111.281 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.1 m -73.83 -36.99 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 74.2 110.957 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.95 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.05 -47.61 24.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 71.2 111.33 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 18' ' ' GLU . 5.9 t -58.95 -48.59 80.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.1 -29.94 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 64.3 110.937 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.28 -44.48 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 63.3 111.035 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.9 -33.37 56.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 54.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -75.0 -25.58 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.3 111.034 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.53 27.08 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 50.4 111.373 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.2 46.34 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 73.2 111.051 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -121.69 46.19 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 53.3 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -51.35 -42.83 61.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.05 -42.59 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.85 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.59 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.836 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.02 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.065 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.53 -53.5 55.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -66.82 -34.77 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 72.2 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.739 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.5 mm? -70.91 -35.68 72.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -76.03 -39.92 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.967 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.45 -36.37 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.976 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.34 -45.56 83.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.2 111.076 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -58.6 -37.69 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 72.5 111.253 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 32' ' ' TYR . 26.0 t -65.93 -31.21 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.148 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -70.06 -35.42 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -72.67 -39.67 66.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.039 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -62.85 -50.11 72.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.976 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -58.88 -44.39 91.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 75.5 111.003 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -62.55 -30.62 71.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 74.4 111.057 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 73.1 111.231 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 40' ' ' LEU . 11.1 mt -76.76 -51.47 19.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.904 -0.589 . . . . 75.2 111.122 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -53.3 59.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 65.2 110.971 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -69.95 -64.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 74.3 111.219 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.1 83.03 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 74.2 111.017 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.06 118.07 22.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 35.2 111.141 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -100.08 -167.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 64.5 110.773 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m -63.11 171.72 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 70.2 110.715 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.17 -36.18 74.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.947 -0.569 . . . . 52.1 111.003 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.96 88.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.853 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.95 -43.43 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.4 111.106 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -60.75 -43.04 98.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -71.14 -40.68 71.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.265 -0.425 . . . . 65.3 110.949 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -60.02 -44.49 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 71.1 110.906 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 43' ' ' ILE . 7.6 mt -71.16 -43.3 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 65.3 111.005 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.7 tpt85 -59.46 -42.03 91.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 63.5 110.967 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.94 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 54.4 111.147 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 21.6 mtpt -73.84 -34.96 64.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.0 111.066 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.87 -40.22 91.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 74.2 111.057 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.3 -37.05 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.265 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.38 -39.09 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 74.3 110.965 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 30.7 m-85 -71.07 -41.77 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 71.1 110.987 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD23 HG11 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -60.14 -39.94 88.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 75.3 111.075 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.41 -34.65 74.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 72.4 110.999 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.014 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.22 -30.08 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.23 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -44.08 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.4 111.153 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -29.79 67.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 73.1 111.092 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 67' ' ' ALA . 59.3 mt -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.5 111.018 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -68.74 -43.52 75.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 63.1 111.092 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -29.17 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.909 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -68.65 -50.29 52.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 62.1 111.134 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.9 -29.99 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 63.4 111.081 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -54.85 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 63.1 110.809 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -58.15 -58.25 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.4 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.326 -0.845 . . . . 71.5 110.968 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.777 0.322 . . . . 73.5 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 p -90.32 130.76 36.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 62.2 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -81.48 161.38 23.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 74.2 110.91 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -127.42 179.11 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.909 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -78.07 -36.8 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.9 mm? -69.99 -41.0 74.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.932 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -44.17 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.5 mttm -62.02 -42.48 99.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 72.3 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.16 -47.95 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 51.2 111.203 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.1 mt -64.57 -29.78 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 55.3 111.175 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.27 -30.63 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 73.3 110.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.4 mm? -75.05 -45.73 39.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.965 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -30.27 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 41.1 111.209 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 m -69.7 -44.49 70.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.063 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -73.0 -27.24 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.089 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -74.55 -46.66 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 70.1 111.296 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.0 t -63.77 -47.26 81.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.979 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.88 -33.02 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 71.4 110.984 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.44 -46.09 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.97 -32.02 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 74.2 111.079 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.03 -25.54 58.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 64.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.51 26.29 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 25.4 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttp 56.8 55.56 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 64.2 111.005 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -124.04 46.15 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.52 -30.68 21.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 70.4 111.239 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.89 -51.42 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.821 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.32 70.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.22 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -76.07 -33.91 59.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.3 111.002 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.07 -32.03 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.1 110.961 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.748 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 1.6 m-85 -75.94 -49.5 17.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -59.45 -36.54 76.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.092 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.13 -36.94 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.053 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -66.54 -34.2 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 53.5 111.219 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -71.42 -30.38 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 71.3 111.193 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.04 -34.8 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.998 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -73.0 -34.12 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 12.7 m-85 -69.64 -44.02 71.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.4 111.028 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 43' ' ' ILE . 9.9 mt -64.03 -46.1 85.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 74.1 110.977 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -62.02 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.46 82.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 30.5 111.141 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 56' ' ' ILE . 6.3 mt -73.06 -42.26 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.139 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -43.98 94.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.99 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -90.53 -64.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.99 0.424 . . . . 75.3 110.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.59 92.82 9.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.733 -0.667 . . . . 72.3 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.1 134.59 38.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.015 -0.538 . . . . 55.5 111.176 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.6 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.56 -168.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.947 -0.57 . . . . 74.1 110.841 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -62.91 170.19 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 71.5 111.005 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -38.35 76.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 73.3 111.06 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.86 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.002 -0.544 . . . . 65.1 110.924 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.22 -35.16 63.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 70.4 111.015 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -67.31 -38.84 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 63.3 111.122 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.44 -39.6 77.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.964 -0.562 . . . . 75.5 110.979 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -59.58 -46.95 87.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 73.1 110.977 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.764 HG22 HD11 ' A' ' 43' ' ' ILE . 9.9 mt -71.31 -34.74 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 64.1 111.092 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.804 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.2 tpt180 -65.24 -40.91 94.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 74.0 111.065 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.99 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 62.0 111.088 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -66.18 -50.96 62.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 75.2 111.14 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -60.14 -34.58 73.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 44.2 111.112 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 57' ' ' ARG . 33.8 t -67.0 -36.06 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 75.4 111.234 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.05 -36.29 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.118 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -70.34 -36.02 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.3 111.089 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.81 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 62.2 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -30.59 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 64.1 111.098 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -79.24 -33.67 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 53.5 111.026 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.6 -28.85 67.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.294 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.16 -51.48 37.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 61.2 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -37.09 74.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.299 0.571 . . . . 64.4 111.265 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 67' ' ' ALA . 17.8 mt -60.13 -45.25 93.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 73.2 111.048 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.17 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 55.5 110.932 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -29.03 69.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 73.0 111.081 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.59 -49.23 27.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.066 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.6 pp -72.45 -29.22 63.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.521 -0.309 . . . . 63.4 111.24 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 74' ' ' LEU . 3.6 mtt180 -73.3 -36.64 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 74.2 110.98 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -67.0 -58.93 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 72.0 110.601 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.348 -0.834 . . . . 73.1 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.842 0.354 . . . . 52.3 111.199 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 2' ' ' THR . 10.1 t -119.89 113.83 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.3 110.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -71.15 129.95 40.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 63.3 110.931 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -179.64 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.1 110.874 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -75.15 -32.09 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.1 110.826 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.72 -33.34 66.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.7 tp60 -72.53 -31.12 65.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.938 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -72.71 -38.27 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.46 -35.04 78.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 52.2 111.067 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 7' ' ' GLN . 15.5 mt -71.91 -30.41 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 62.2 111.187 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -31.94 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 60.5 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mm? -73.29 -32.61 64.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.4 110.953 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.1 t -75.67 -30.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.099 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -70.63 -41.79 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 71.4 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -73.03 -29.87 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.937 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.47 -48.96 36.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 62.3 111.244 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 7.8 t -58.97 -46.79 87.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 71.2 111.028 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' THR . 11.9 pt-20 -64.82 -37.44 87.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.5 110.975 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.04 -45.53 88.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 61.4 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -33.01 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 74.3 111.045 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.66 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.009 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 27.56 3.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 74.3 111.394 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.38 50.36 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 64.1 110.95 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -120.99 46.1 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 70.1 110.881 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -53.11 -32.15 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 73.4 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -50.48 48.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -67.74 -39.51 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 72.5 110.836 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.93 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.5 111.098 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.82 -43.41 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -35.85 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.1 mm? -66.71 -48.27 69.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.2 110.955 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.702 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.7 m-85 -64.61 -41.51 96.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.988 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -71.37 -39.69 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.045 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -62.73 -29.08 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 65.5 111.284 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -74.85 -54.12 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 71.1 111.299 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.15 -35.89 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 71.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -66.12 -31.08 71.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.955 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -74.05 -43.44 57.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.951 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.76 -43.61 94.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.049 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -65.03 -30.26 71.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 71.1 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.29 -34.54 74.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.219 -0.446 . . . . 61.3 111.018 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 HG22 ' A' ' 56' ' ' ILE . 20.6 mt -75.88 -47.53 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 33.3 111.22 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -52.4 65.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.2 110.959 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.39 -64.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 55.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -95.15 83.88 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 71.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.09 116.19 24.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.919 -0.582 . . . . 73.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -98.85 -167.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 73.2 110.824 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.28 172.59 1.85 Allowed 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.085 -0.507 . . . . 54.5 110.945 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.45 -35.03 73.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 74.5 110.786 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -60.66 -49.99 75.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 64.4 110.981 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.23 -35.41 63.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 71.5 110.943 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -67.0 -37.1 83.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.379 . . . . 71.3 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -74.08 -36.97 64.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.073 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -64.53 -44.87 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 73.2 111.055 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.566 HG22 HD11 ' A' ' 43' ' ' ILE . 7.0 mt -70.04 -41.65 79.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 121.159 0.504 . . . . 63.5 111.376 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -59.7 -47.49 85.42 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.858 -0.61 . . . . 74.3 111.105 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.42 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 64.4 111.074 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -67.71 -35.8 79.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 65.5 110.906 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.54 -35.36 78.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 72.4 111.067 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.7 -38.05 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 74.1 111.168 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -41.24 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.048 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 22.9 m-85 -66.61 -35.98 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.1 110.998 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.97 -30.19 68.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 71.4 111.039 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -30.12 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 72.2 111.126 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -31.94 53.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 62.3 111.035 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.24 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.213 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -41.34 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 75.3 110.921 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.74 78.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 75.1 111.073 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.58 -41.94 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.0 -46.5 77.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.963 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -28.95 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.1 111.026 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -76.76 -49.81 15.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 74.5 111.194 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.64 -30.95 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 75.5 111.34 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -79.16 -46.94 16.96 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.923 0.392 . . . . 73.2 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 t -60.44 -38.66 84.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 72.1 110.836 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.182 -0.913 . . . . 71.3 110.823 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.671 0.272 . . . . 54.3 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.8 p -100.31 135.23 42.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m -137.55 160.94 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.3 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m -71.83 140.79 49.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -76.9 -33.3 57.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.961 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.92 -43.99 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 54.3 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.5 tp60 -66.41 -33.17 75.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.09 -32.22 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.898 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.82 -34.79 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 53.3 111.187 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.1 mt -72.95 -29.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.1 111.115 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -30.31 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.3 111.102 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.4 mm? -72.81 -33.94 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 61.4 111.072 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 ' HB1' ' A' ' 35' ' ' ALA . 16.3 m -79.98 -30.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 65.2 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.8 m -72.52 -35.74 68.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.02 62.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.048 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -71.51 -47.63 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.2 111.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -58.43 -43.4 88.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 70.5 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.05 -30.58 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 61.3 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -37.55 62.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.1 110.94 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.95 -47.99 70.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 61.3 110.991 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.28 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.245 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.71 23.61 5.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.561 -0.291 . . . . 72.5 111.435 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.38 45.71 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 53.1 111.057 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -124.06 46.11 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 65.4 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -51.34 -41.62 60.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.66 -37.45 87.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 64.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.12 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.4 111.236 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 71' ' ' LYS . 63.7 tp -61.72 -51.21 69.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 55.2 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -32.26 67.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.7 mm? -71.04 -43.13 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 65.3 111.008 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.2 m-85 -70.01 -46.18 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 74.1 111.036 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.22 -33.44 70.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.089 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.66 -37.51 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 64.3 111.07 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -65.39 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.2 111.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.88 -30.48 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.2 111.217 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.04 -39.22 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 74.1 111.025 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.61 -32.53 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 55.3 111.005 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.06 -44.36 69.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 71.2 110.975 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -60.03 -35.47 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 63.4 110.972 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -73.47 -30.75 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.4 110.926 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.39 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 73.4 111.119 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.4 mt -76.1 -47.96 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 61.3 111.069 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -59.68 -52.71 64.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 73.2 111.045 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -74.54 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 74.2 111.276 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -94.15 83.17 4.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 71.1 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.65 113.66 24.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.091 -0.504 . . . . 71.4 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -91.98 -169.31 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -63.32 170.43 3.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.128 -0.487 . . . . 74.1 110.77 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.3 -37.96 76.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.373 -0.376 . . . . 73.3 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -50.01 75.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 63.5 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.12 -35.97 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.057 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.36 96.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 65.5 111.09 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -36.97 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 75.4 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -40.83 97.6 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.261 -0.427 . . . . 70.4 111.06 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.05 -44.76 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.399 . . . . 71.3 111.146 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tpt85 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.454 -0.339 . . . . 72.2 111.096 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.5 70.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 61.2 111.212 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -69.19 -38.98 78.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.2 111.073 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.89 -33.81 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 43.2 111.03 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -64.65 -38.4 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.248 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -36.48 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 71.4 111.075 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -70.95 -36.1 72.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 75.5 111.077 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.24 -36.02 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 55.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -29.21 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 71.4 111.152 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmm-85 -77.69 -39.73 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 75.2 111.013 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.47 -40.01 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 73.3 111.298 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.83 -32.57 71.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.247 -0.433 . . . . 74.3 111.043 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.77 61.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 70.3 111.012 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 67' ' ' ALA . 18.4 mt -71.22 -46.57 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.038 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.73 -31.77 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 44.1 111.079 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -29.78 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.4 110.583 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -73.23 -48.42 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.481 -0.327 . . . . 73.4 111.042 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.6 pp -69.64 -41.0 76.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.378 -0.373 . . . . 71.2 111.067 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.9 mtt180 -58.41 -42.26 86.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 72.2 111.072 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -67.8 -44.95 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 70.4 111.079 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.221 -0.895 . . . . 75.3 110.983 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.756 0.312 . . . . 74.4 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t -134.88 130.39 35.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.889 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.2 p -82.98 143.62 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.96 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 177.58 6.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -78.02 -36.62 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.2 110.94 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.98 -36.07 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -72.05 -30.88 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.5 mmtt -71.13 -43.58 67.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 65.5 110.913 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.604 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.64 -38.79 82.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 51.5 111.287 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mt -69.84 -29.86 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.166 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -30.1 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 71.4 110.983 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.3 mm? -74.79 -31.73 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.934 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ALA . 30.4 t -78.69 -30.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 75.5 111.085 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 m -71.63 -37.28 70.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 54.3 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.16 64.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.001 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.31 -46.69 48.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.213 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -59.67 -45.67 91.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 42.4 110.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.38 -32.29 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 71.5 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -39.81 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.988 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -38.48 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 63.1 111.032 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.46 58.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 73.4 111.042 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.19 25.86 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 52.1 111.355 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 56.89 48.4 16.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 75.5 111.065 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.34 46.08 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -53.85 -34.13 58.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 64.5 111.058 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.2 -45.09 77.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 55.3 110.828 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -39.68 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.826 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.07 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.3 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 71' ' ' LYS . 3.6 tp -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 70.4 110.869 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.34 64.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -70.77 -45.14 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.898 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.633 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -67.84 -41.85 82.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.965 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -62.58 -32.74 73.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.0 -41.64 67.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 72.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.19 -33.97 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.0 111.244 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 64' ' ' LEU . 26.2 t -69.76 -33.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 50.3 111.119 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.1 -34.06 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -72.91 -30.89 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 65.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -72.34 -43.88 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 53.2 110.992 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.66 -45.8 85.19 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.2 -0.454 . . . . 71.5 110.977 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 60.5 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.88 81.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 44.2 111.035 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 56' ' ' ILE . 13.9 mt -73.31 -44.31 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.1 111.12 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -52.61 64.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 74.1 111.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.16 -63.85 1.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.9 -0.591 . . . . 73.5 111.234 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.22 86.09 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.76 118.69 30.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 52.4 111.148 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.648 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.01 -168.04 1.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.485 -0.325 . . . . 75.3 110.85 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 175.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 54.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -34.6 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.884 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -52.3 65.84 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.07 -0.514 . . . . 73.5 110.808 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.94 -32.19 63.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 72.2 111.21 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -70.1 -46.22 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.012 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -37.09 78.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.989 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -62.09 -47.73 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 43' ' ' ILE . 12.5 mt -71.1 -37.6 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 63.1 111.092 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.3 tpt85 -61.49 -40.52 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 71.2 111.117 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 71.2 111.354 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -50.92 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 65.3 111.105 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.1 p -58.92 -38.21 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 65.2 111.116 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 57' ' ' ARG . 37.0 t -62.44 -36.08 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 74.3 111.173 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -73.56 -36.2 65.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 70.3 111.057 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.0 -35.97 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 62.2 111.048 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 36' ' ' VAL . 4.2 mt -65.48 -41.45 93.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 51.4 111.058 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -31.35 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 55.2 111.079 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.3 111.01 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -29.92 68.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 72.2 111.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -32.58 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.908 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -30.23 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 52.4 110.862 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.3 mt -73.07 -36.92 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 74.4 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' A' ' 29' ' ' LEU . 11.5 tttt -68.77 -41.84 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.083 0.468 . . . . 63.2 110.921 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -30.56 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 75.2 110.877 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.49 -50.23 27.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 72.1 110.951 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -70.23 -31.18 68.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.148 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' N ' HD12 ' A' ' 74' ' ' LEU . 4.3 mtt180 -69.7 -38.92 77.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 73.2 110.795 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 63.4 110.748 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.198 -0.906 . . . . 75.2 110.91 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.806 0.336 . . . . 73.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 m -149.54 135.59 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -106.9 133.01 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 72.1 110.891 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 m -101.12 -178.11 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.876 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -74.91 -31.22 61.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 61.4 110.904 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.48 -45.22 55.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -65.57 -30.58 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.0 110.967 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.7 mttp -71.07 -36.78 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.96 -33.22 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 111.193 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 7' ' ' GLN . 17.5 mt -72.49 -29.68 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -30.08 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.2 111.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.72 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.5 mm? -77.0 -31.38 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 74.5 111.094 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 9' ' ' ALA . 26.2 t -75.84 -29.66 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.284 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 m -77.5 -35.94 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 65.4 111.055 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -76.16 -45.28 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -59.22 -46.13 89.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 71.5 110.966 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.09 -38.66 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.3 111.028 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.67 -40.55 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.038 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -36.78 63.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 71.2 111.031 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -22.2 58.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 42.4 111.176 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.01 26.29 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.443 -0.344 . . . . 71.4 111.425 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 56.49 49.43 14.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 75.1 111.094 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -123.97 46.19 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.3 110.804 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -53.19 -30.31 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 65.2 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -47.04 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 71.4 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -41.15 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.31 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 61.4 111.161 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD21 ' HG3' ' A' ' 71' ' ' LYS . 10.6 tp -63.84 -43.17 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.953 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.73 -34.71 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.5 110.862 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -67.22 -44.17 80.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.2 m-85 -67.13 -42.59 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.919 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.63 -33.01 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 70.2 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -71.79 -42.03 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.4 111.017 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.35 -35.64 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.3 111.248 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 32' ' ' TYR . 34.4 t -71.15 -32.27 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 72.4 111.18 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.09 -36.09 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -73.02 -33.22 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.4 111.038 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 8.6 m-85 -70.6 -51.28 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.997 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -59.28 -46.0 89.73 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.27 -0.423 . . . . 63.2 111.007 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 4.1 t60 -62.93 -30.9 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.955 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.23 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 53.4 110.976 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 56' ' ' ILE . 11.5 mt -77.87 -43.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 63.3 111.228 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.9 63.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 72.1 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 6.5 m-85 -77.68 -64.22 1.2 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 73.4 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.54 85.36 6.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.946 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.83 124.48 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 60.3 111.13 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -107.16 -166.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.833 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 170.65 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.2 110.693 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.19 -31.06 69.79 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.851 -0.613 . . . . 71.5 111.179 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -50.38 66.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 70.1 110.912 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -71.57 -35.08 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 74.5 111.239 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -63.58 -48.91 75.48 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.074 -0.512 . . . . 73.5 110.978 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.1 110.854 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -47.69 84.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 65.4 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 43' ' ' ILE . 11.8 mt -70.6 -44.36 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.4 111.063 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 tpt180 -59.85 -42.71 94.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.873 0.368 . . . . 73.3 111.017 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.73 70.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.281 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.93 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 71.4 110.95 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -66.77 -32.94 74.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 63.1 110.932 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -66.38 -46.6 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 61.2 111.207 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.61 -42.48 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 71.5 110.935 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -59.49 -35.94 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 61.5 111.012 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.95 -37.03 78.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 55.2 111.023 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.4 111.0 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.18 -47.97 54.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.2 111.015 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.46 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.4 111.2 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.54 -39.64 85.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.1 111.208 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -39.4 73.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.291 0.567 . . . . 73.2 111.145 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.35 -40.25 95.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 71.4 111.006 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.79 -48.01 64.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 72.2 110.979 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -29.35 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.157 -0.474 . . . . 41.5 110.758 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -67.92 -50.34 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.014 0.435 . . . . 73.2 111.013 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.4 pp -73.88 -32.12 63.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.248 0.547 . . . . 64.3 111.22 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.49 -32.21 69.63 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.947 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m -68.38 -50.57 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 74.3 110.669 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.474 -0.774 . . . . 61.3 110.796 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.788 0.328 . . . . 73.1 111.228 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -97.46 138.46 34.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 53.4 110.913 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -72.67 135.97 45.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.914 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -88.97 175.8 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 41.2 110.88 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -76.56 -34.35 58.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 51.3 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.32 -43.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HA ' HD12 ' A' ' 10' ' ' ILE . 1.6 tp60 -68.46 -31.11 70.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.72 -34.5 71.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 62.4 110.873 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -70.95 -36.22 72.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.135 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.0 mt -67.84 -30.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 73.3 111.119 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.06 -30.63 63.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.607 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.1 mm? -72.55 -32.15 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.4 110.945 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.5 t -76.8 -30.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 60.3 111.203 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -70.82 -41.95 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 54.3 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -73.1 -28.54 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.0 111.012 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.97 -49.06 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 72.2 111.187 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -58.74 -46.71 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 55.4 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.27 -35.12 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 62.3 110.982 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -44.93 86.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 74.2 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.01 -30.08 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -27.31 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.914 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 26.43 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 62.1 111.373 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 tttt 57.1 46.16 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 64.1 111.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.97 45.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.936 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -54.08 -30.37 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.133 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.9 -50.28 50.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.17 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.3 110.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.67 81.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.3 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.24 -46.51 89.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.2 111.017 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.3 mm? -70.89 -33.5 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.914 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -76.05 -45.63 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 71.5 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.17 -33.73 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.2 111.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.77 -50.17 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.986 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -57.93 -29.81 65.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 64.4 111.226 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.0 t -71.82 -36.29 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 55.5 111.092 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.03 -38.69 75.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.83 -35.83 81.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.955 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -68.97 -51.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 73.1 110.985 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 43' ' ' ILE . 36.1 mt -59.5 -38.97 82.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.045 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.56 -30.69 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 51.4 110.964 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.29 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.3 111.036 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 56' ' ' ILE . 13.4 mt -71.54 -45.28 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 63.1 111.205 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -50.86 72.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.058 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -79.6 -64.16 1.25 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.139 0.495 . . . . 63.1 111.408 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.71 85.97 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 72.5 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.21 108.94 19.9 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.318 -0.401 . . . . 72.3 111.054 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -89.17 -169.09 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.977 0.418 . . . . 74.3 110.777 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 171.12 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 53.1 110.915 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.11 -35.92 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.879 0.371 . . . . 73.4 110.775 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -63.05 -49.86 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 72.4 111.04 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.91 -36.43 64.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 62.3 111.114 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -69.57 -32.75 71.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 74.4 111.03 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.78 -42.35 61.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.893 -0.594 . . . . 74.3 111.023 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -60.01 -40.77 90.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 74.0 110.952 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 HD11 ' A' ' 43' ' ' ILE . 9.4 mt -70.17 -40.34 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 74.4 111.043 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.1 tpt85 -65.07 -38.08 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.451 -0.341 . . . . 71.2 111.049 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.22 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 63.5 111.339 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -35.71 61.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 71.4 110.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.43 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 61.1 110.978 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -68.04 -44.4 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.1 111.311 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -74.2 -30.79 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.0 111.071 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.65 -39.15 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 71.4 111.041 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.46 -30.29 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.074 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 73.4 111.036 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -80.14 -32.08 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.011 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -60.08 -32.37 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.5 111.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.0 -44.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.285 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.98 -29.39 67.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 75.4 111.037 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 67' ' ' ALA . 9.2 mt -72.66 -47.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.084 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 74' ' ' LEU . 8.5 ptpt -72.66 -34.21 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.1 111.044 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -28.89 70.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.508 . . . . 74.5 111.41 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.05 -49.79 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 74.1 111.523 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -63.72 -43.17 97.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 61.2 111.672 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.803 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.4 ptp180 -61.67 -31.77 71.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.809 0.338 . . . . 72.1 111.048 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -54.41 43.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.987 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.329 -0.843 . . . . 73.3 110.881 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.839 0.352 . . . . 75.2 111.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -89.21 137.71 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 61.4 110.895 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -113.34 104.35 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 54.5 110.883 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -76.82 179.5 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 63.3 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.77 -31.21 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.3 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.94 -33.8 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.872 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.7 tp60 -71.96 -34.89 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -70.68 -40.6 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.932 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -59.96 -39.67 86.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.143 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt -67.36 -30.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.2 111.117 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -30.26 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.966 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.653 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.6 mm? -76.47 -31.09 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 72.2 110.965 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 -30.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.3 111.132 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.3 m -75.63 -34.77 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 31' ' ' LEU . 3.0 tttm -72.99 -30.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.951 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -45.31 41.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.2 111.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 t -58.11 -43.86 87.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 63.4 111.058 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.02 -32.26 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.93 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.18 -38.31 56.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -47.17 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.3 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -75.15 -17.45 60.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.2 111.158 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.79 24.13 4.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.514 -0.312 . . . . 52.2 111.452 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 56.73 44.95 22.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 75.1 111.17 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -123.93 46.11 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 62.5 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -51.89 -38.64 56.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 62.4 111.164 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.45 -46.28 90.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.3 110.81 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -38.93 75.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.15 -32.82 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 70.3 111.086 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.9 -48.54 76.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -34.18 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.037 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -71.04 -41.06 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.3 110.929 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.8 m-85 -68.49 -47.46 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.3 110.875 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.19 -39.16 81.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.3 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.14 -32.59 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.1 110.935 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.0 -38.46 72.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.245 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.4 t -68.99 -32.38 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.242 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.69 -34.81 74.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.953 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -73.01 -30.8 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.4 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 11.2 m-85 -72.92 -36.3 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.4 110.936 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -39.31 83.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 63.1 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -71.58 -31.44 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 64.1 110.957 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 74.5 111.011 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.618 HD11 HG22 ' A' ' 56' ' ' ILE . 20.3 mt -75.46 -44.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 51.2 111.349 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.38 69.68 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.936 -0.574 . . . . 43.3 110.948 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -78.32 -64.01 1.27 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.138 -0.483 . . . . 75.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.62 88.02 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 75.1 110.919 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.38 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.211 -0.449 . . . . 75.3 111.129 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -139.37 -169.46 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.871 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -62.86 172.43 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 74.2 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -37.92 81.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.533 . . . . 73.3 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.75 -49.81 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.978 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.97 -37.47 64.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.517 -0.31 . . . . 54.5 111.019 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -66.1 -47.23 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.2 -36.99 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 73.1 110.947 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -58.33 -47.28 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.992 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 5.9 mt -71.06 -38.84 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 72.1 111.024 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -62.66 -41.43 99.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 75.1 110.926 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.05 70.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.969 -0.56 . . . . 62.2 111.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -69.07 -34.87 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 63.1 111.0 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -34.98 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.001 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.52 -41.97 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.1 111.212 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -74.93 -37.97 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 75.4 111.104 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.02 -35.99 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.022 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.557 ' HG ' HG11 ' A' ' 36' ' ' VAL . 8.7 mt -70.73 -29.96 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 73.4 111.084 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -30.02 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 74.4 111.065 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -73.76 -45.9 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 74.3 111.078 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -58.65 -29.58 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 40.4 111.296 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.82 -43.28 62.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 74.2 110.999 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -30.14 70.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.121 0.486 . . . . 73.3 111.153 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 67' ' ' ALA . 49.1 mt -69.78 -39.57 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 71.3 111.049 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -73.0 -42.27 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.4 111.085 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -28.92 67.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.998 -0.546 . . . . 72.3 111.248 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.05 -49.93 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.352 -0.386 . . . . 64.4 111.53 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.3 pp -63.8 -38.75 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.946 0.35 . . . . 73.4 111.946 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.82 ' N ' HD12 ' A' ' 74' ' ' LEU . 2.3 ptp180 -68.55 -30.4 69.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 72.4 110.994 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -62.1 -49.91 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 71.3 110.778 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.177 -0.916 . . . . 70.2 110.861 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.822 0.344 . . . . 55.1 111.15 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -113.56 120.5 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.939 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 4' ' ' SER . 27.3 m -72.68 161.03 31.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.913 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 3' ' ' THR . 0.6 OUTLIER -136.89 169.11 18.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.864 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -35.73 53.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 61.4 110.955 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.91 -37.91 64.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.97 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -68.2 -32.96 73.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmtt -71.86 -32.55 67.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 75.4 110.924 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.703 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -74.7 -39.83 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 50.5 111.122 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.15 -30.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.5 111.209 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.72 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 62.3 111.032 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -73.14 -33.66 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 75.3 110.93 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.0 m -76.39 -30.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 62.2 111.187 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 m -71.86 -37.49 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.1 111.008 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -30.23 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 75.2 111.034 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -73.77 -47.35 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 111.233 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.8 -35.54 81.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 70.3 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.9 -38.3 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.916 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD2' HD21 ' A' ' 70' ' ' LEU . 3.9 t0 -53.96 -39.26 65.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 75.4 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -75.08 -21.21 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 73.3 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.1 23.96 5.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.502 -0.317 . . . . 73.4 111.535 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.7 40.78 29.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 60.3 111.147 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.29 46.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -51.77 -39.16 58.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 64.5 111.192 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.53 -43.47 89.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -39.61 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -34.73 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.3 111.167 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.5 -43.68 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.3 110.987 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -35.52 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.003 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.6 mm? -70.97 -34.43 71.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.4 111.02 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.9 m-85 -73.01 -46.7 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.958 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.94 -36.47 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.28 -40.16 89.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.4 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -64.17 -30.2 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 74.1 111.244 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.4 t -73.17 -32.83 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 61.3 111.288 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.02 -37.88 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.5 111.008 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -72.89 -32.54 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.2 111.059 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 4.7 m-85 -72.48 -42.25 65.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 54.1 111.005 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 43' ' ' ILE . 18.7 mt -64.79 -46.0 83.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 71.3 111.069 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.87 -36.21 82.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 71.5 110.947 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.79 98.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 71.3 111.021 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.8 HD11 HG22 ' A' ' 56' ' ' ILE . 7.5 mt -67.85 -51.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 64.4 111.21 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 72.3 111.079 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -74.02 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.202 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.09 88.54 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 74.2 110.989 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.13 96.91 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 53.1 111.171 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -77.41 -168.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 73.3 110.698 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -63.08 175.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 64.3 110.706 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.86 -31.27 72.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.888 -0.596 . . . . 73.4 111.048 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -47.99 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.1 110.956 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.89 -44.96 53.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 73.4 111.309 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -59.71 -33.03 71.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.916 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -74.09 -38.18 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 72.1 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -65.61 -40.1 92.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 65.2 110.936 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.8 HG22 HD11 ' A' ' 43' ' ' ILE . 13.3 mt -71.18 -35.78 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.081 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -68.92 -42.96 76.1 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.161 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.15 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.4 111.38 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -70.43 -34.96 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 73.3 110.994 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.7 m -62.56 -37.36 85.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.63 -38.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.4 111.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.88 -35.75 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.4 111.039 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -70.85 -36.42 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 72.4 111.007 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 60' ' ' CYS . 4.2 mt -70.77 -29.68 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.2 111.071 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.61 -32.74 66.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 73.3 110.957 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -32.02 60.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 63.2 110.983 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -68.44 -29.92 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 70.3 111.183 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -70.88 -45.56 64.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 74.2 111.018 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -62.78 -30.42 71.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.409 . . . . 65.1 111.058 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 67' ' ' ALA . 53.3 mt -66.26 -49.99 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.979 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 72.5 110.914 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -30.52 69.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.1 111.369 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.4 -50.52 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 64.4 110.983 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 4.0 pp -69.6 -32.73 71.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.072 -0.513 . . . . 73.0 111.399 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 26.5 mtp180 -68.12 -47.73 67.34 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.009 0.433 . . . . 73.4 110.868 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -50.76 69.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 70.2 110.804 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.3 tttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.278 -0.867 . . . . 73.4 110.898 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.817 0.341 . . . . 63.5 111.166 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -72.55 126.09 29.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.467 . . . . 71.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.5 p -70.62 133.46 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.926 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.8 p -92.72 -176.64 4.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 62.4 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -74.33 -31.85 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 54.1 110.874 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.94 -41.49 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.614 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.07 -31.14 71.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.01 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.4 mttm -70.98 -37.1 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -67.92 -34.41 76.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 53.4 111.183 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 7' ' ' GLN . 11.5 mt -72.27 -30.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 61.3 111.142 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -31.11 69.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.3 110.977 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 4.2 mm? -71.93 -37.77 69.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.931 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.04 -29.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 72.4 111.187 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.75 -41.4 71.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 65.4 110.957 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -29.95 63.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.93 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -72.04 -48.59 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 43.4 111.21 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' GLU . 6.8 t -59.36 -46.37 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.015 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' THR . 12.8 pt-20 -65.97 -34.03 77.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 64.5 110.898 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -45.55 77.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.9 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' HD21 ' A' ' 70' ' ' LEU . 5.8 t0 -54.52 -30.07 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 73.1 111.072 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -27.44 60.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 61.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.08 27.29 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 65.1 111.32 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 57.18 56.11 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 73.5 111.006 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -123.97 46.14 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 65.4 110.879 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.44 -30.0 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.4 111.096 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.35 -52.22 29.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -35.36 78.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.82 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.2 111.225 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 71' ' ' LYS . 23.8 tp -62.03 -41.9 98.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.911 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -77.97 -33.33 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.964 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 12' ' ' LEU . 3.1 mm? -70.61 -37.87 73.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.4 111.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -73.01 -41.11 64.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.1 111.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.82 -30.31 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.999 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.2 -39.5 75.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.3 111.267 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 32' ' ' TYR . 25.3 t -68.97 -37.54 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.26 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.84 -37.36 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 64.3 111.029 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -67.09 -33.99 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.041 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 13.1 m-85 -72.13 -38.59 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.015 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.08 -39.27 82.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -71.71 -30.89 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 64.4 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.98 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 54.3 111.01 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 HG22 ' A' ' 56' ' ' ILE . 5.3 mt -66.99 -46.2 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 63.2 111.103 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -53.1 61.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.956 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -75.29 -63.9 1.18 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.107 -0.497 . . . . 73.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.22 95.13 8.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 71.1 111.056 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.43 151.26 19.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.818 0.342 . . . . 61.3 111.215 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -137.87 -168.07 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 70.3 110.661 -179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 167.51 4.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.412 -0.358 . . . . 74.3 111.303 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.89 -38.36 72.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.97 0.414 . . . . 62.1 110.999 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -48.97 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.994 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -74.06 -34.65 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 73.2 111.269 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -48.85 51.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.046 -0.525 . . . . 61.2 111.068 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -37.12 85.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 73.4 110.851 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -60.21 -43.77 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 74.2 111.009 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.67 HG22 HD11 ' A' ' 43' ' ' ILE . 10.6 mt -71.26 -40.7 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 73.2 111.004 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -59.85 -48.16 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 61.2 111.035 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.79 71.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.275 -0.42 . . . . 73.4 111.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -70.21 -35.83 74.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 52.1 110.988 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.38 -36.72 85.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.044 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -64.95 -43.61 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.198 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -74.45 -31.15 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 71.3 111.093 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.95 -35.99 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.5 111.048 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.74 -30.52 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.2 111.097 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.03 -30.01 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.089 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -32.04 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.003 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -70.95 -29.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 51.3 111.243 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.39 -39.99 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 73.3 110.948 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.84 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.3 111.141 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' ALA . 15.4 mt -69.56 -49.36 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.1 111.002 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.6 -31.94 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.2 111.064 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -29.01 60.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.4 111.294 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -75.21 -49.89 17.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 64.5 111.208 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -62.59 -44.98 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 64.4 111.291 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.753 ' N ' HD12 ' A' ' 74' ' ' LEU . 9.3 ptt85 -61.7 -40.34 94.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 64.5 111.078 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.8 p -66.46 -52.85 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 64.2 110.834 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 54.3 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.81 0.338 . . . . 72.3 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.7 p -114.3 130.99 56.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 51.3 110.873 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -90.33 130.68 36.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 51.2 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 -176.73 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 53.3 110.855 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -71.13 -36.82 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 51.5 110.847 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.97 -31.99 63.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.3 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -35.22 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.764 ' O ' HD23 ' A' ' 12' ' ' LEU . 24.1 mttp -70.79 -34.1 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.926 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -64.5 -40.23 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 71.2 111.16 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.92 -35.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 55.1 111.079 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.71 -31.48 52.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.4 110.917 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.79 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 3.5 mm? -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' A' ' 35' ' ' ALA . 27.6 m -80.08 -32.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.118 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -68.69 -37.75 79.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -30.47 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.908 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -71.55 -46.95 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 75.2 111.144 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -44.16 92.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.959 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.6 -39.54 84.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.5 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.52 -39.19 88.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 71.1 110.849 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -55.07 -41.78 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 70.2 111.037 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.06 -18.01 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.1 111.266 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.334 . . . . 65.1 111.373 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttt 57.52 30.11 18.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 64.1 111.05 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.92 46.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.791 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -53.07 -30.78 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.4 111.082 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.34 -46.68 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 70.1 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.72 -40.6 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.3 110.924 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.93 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.1 111.074 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.6 -49.09 74.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 61.4 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.948 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 12' ' ' LEU . 2.7 mm? -67.42 -36.91 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 75.4 110.985 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -75.9 -43.48 45.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -61.35 -40.44 94.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.945 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 70.1 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -69.7 -36.55 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.2 111.143 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HG ' ' A' ' 64' ' ' LEU . 27.6 t -70.32 -34.48 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.4 111.051 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.35 -35.91 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 55.1 111.004 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -72.5 -30.85 64.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.971 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 15.5 m-85 -69.15 -49.43 56.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 70.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.99 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 63.4 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -66.29 -30.17 70.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.3 111.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.86 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 60.3 111.053 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.853 HD11 HG22 ' A' ' 56' ' ' ILE . 17.3 mt -69.36 -34.02 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.341 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -48.22 23.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.016 -0.538 . . . . 63.3 110.969 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -85.67 -64.07 1.22 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 64.3 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.89 57.92 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.108 0.48 . . . . 70.1 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 144.7 56.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.093 -0.503 . . . . 60.2 110.971 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -134.92 -165.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.462 -0.335 . . . . 74.5 110.755 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 173.43 1.36 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.373 -0.376 . . . . 74.4 110.768 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -31.24 69.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 50.4 111.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.77 -46.14 89.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 74.1 111.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -73.68 -42.54 61.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 63.2 111.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -59.21 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 75.4 110.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.8 -36.75 80.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.017 -0.538 . . . . 71.1 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -64.32 -48.24 76.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.2 111.193 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.853 HG22 HD11 ' A' ' 43' ' ' ILE . 8.0 mt -67.55 -42.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 74.2 111.201 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -59.93 -36.14 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.943 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.48 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 55.2 111.126 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -75.0 -44.91 45.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.1 111.102 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 36' ' ' VAL . 31.9 p -64.79 -41.08 96.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 61.5 111.141 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 p -66.82 -36.07 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 73.3 111.237 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -41.43 76.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.855 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' HB2' HG22 ' A' ' 36' ' ' VAL . 27.7 m-85 -70.99 -36.63 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 64.1 111.002 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.81 ' HG ' HG11 ' A' ' 36' ' ' VAL . 1.7 mt -59.96 -43.31 95.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 64.1 111.007 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.74 -38.41 83.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 62.1 110.97 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -36.5 79.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.938 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -65.39 -45.85 82.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.17 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.12 -32.17 70.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 71.1 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -67.06 -39.05 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.069 0.462 . . . . 53.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' ALA . 2.8 mt -68.57 -39.56 80.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.951 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -60.99 -42.23 98.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.58 -33.13 70.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.188 -0.46 . . . . 53.4 111.271 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.1 -50.31 66.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.943 -0.572 . . . . 74.1 110.96 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 75' ' ' ARG . 3.9 pp -71.75 -32.72 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.56 . . . . 73.4 111.027 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -65.19 -43.94 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 53.5 110.911 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -42.73 82.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 50.3 110.857 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.195 -0.907 . . . . 62.5 110.993 179.986 . . . . . . . . 0 0 . 1 stop_ save_