data_2m97_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 2m97 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.2 -31.31 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.04 -35.39 80.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.261 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -76.85 -33.81 57.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.206 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.51 -24.86 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -64.07 -41.32 97.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.35 -44.77 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.31 -40.27 95.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -36.1 82.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.99 -41.49 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -79.64 -26.96 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.54 77.34 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.16 -35.78 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.291 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.86 39.46 24.38 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.29 -10.69 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.23 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.56 15.41 53.08 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -162.77 168.01 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.0 mm -94.25 120.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.26 170.19 16.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -64.08 -44.33 92.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -37.43 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.255 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.14 -35.49 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -65.25 -40.18 93.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.25 65.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.35 -42.03 84.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.71 -44.94 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -55.18 -43.96 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.67 -40.57 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.53 -22.72 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -91.45 -10.06 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.93 28.15 47.14 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.49 131.26 40.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.188 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -91.33 89.79 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.231 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.2 mt -120.29 154.34 35.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -82.93 171.93 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -35.05 68.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.98 -43.03 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.97 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.21 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -43.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.2 -34.84 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.52 -46.73 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 -37.23 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.276 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.91 -32.74 85.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.67 -38.75 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.211 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.2 p -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -77.44 75.7 3.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.7 m -64.2 -39.31 93.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.35 -10.13 59.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.37 44.31 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.188 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -106.79 -1.32 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.287 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.6 23.18 58.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -151.4 159.96 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.214 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 93.8 mt -111.85 118.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.84 170.8 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.234 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.05 -45.97 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.79 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.37 -26.39 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.52 -45.23 91.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -34.32 72.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.45 -40.62 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -64.84 -40.98 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.13 -23.09 65.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 174.585 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.84 -47.38 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -33.98 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -64.97 -34.96 79.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 177.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -63.05 -42.3 99.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.27 -44.07 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.37 -36.82 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -61.24 -46.25 91.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.84 -35.27 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.82 -46.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.22 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -72.84 -29.68 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.02 86.99 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.64 -31.32 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -169.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.93 -26.85 17.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -174.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.19 38.3 9.24 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.84 -19.96 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.258 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.09 8.91 57.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -159.37 167.73 28.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.148 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -99.41 119.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.42 171.0 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.42 -35.78 78.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.21 -37.56 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.7 -40.66 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.09 79.87 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.89 -42.88 89.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.221 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.1 mt -54.21 -40.04 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.0 -38.94 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -78.08 -25.04 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.84 -27.19 55.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -92.26 -15.09 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.25 23.81 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -100.24 149.32 23.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.0 95.87 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.91 152.62 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.56 171.42 11.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.228 170.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -35.46 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.69 -39.37 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.68 -46.46 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.3 t -64.81 -48.93 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.231 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.87 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.27 -49.93 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.11 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.68 -50.14 68.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.45 93.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.65 -35.54 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.241 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 m -72.69 -31.97 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.84 80.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -76.67 -25.05 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.252 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.79 -9.93 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.18 44.84 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -98.09 -1.62 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.9 31.09 27.24 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -172.5 156.25 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.0 mt -100.45 115.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 174.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.01 173.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.197 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.81 -49.53 77.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.29 -39.84 95.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.71 -31.75 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.55 -44.19 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.76 -42.02 83.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.4 -37.2 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.16 -45.86 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.23 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.96 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.22 -30.38 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.248 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.69 -35.14 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.01 -34.26 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.95 -25.2 61.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -61.42 -38.91 88.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -72.49 -40.31 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.22 -40.43 93.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.64 -46.5 88.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.84 -35.16 79.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.34 -46.17 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -74.98 -28.72 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -77.4 85.91 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.38 -26.63 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.267 -169.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.62 -28.07 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 35.78 10.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.67 -24.67 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 12.11 41.34 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.0 168.37 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.5 mm -99.79 121.53 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.243 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.19 170.14 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.13 -44.97 90.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.54 -36.35 78.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.02 -35.87 81.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.43 -39.12 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.32 -40.97 69.95 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.0 -43.15 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.99 -44.89 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.3 mm -58.95 -40.93 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -68.19 -35.8 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.67 -29.71 64.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -86.11 -6.88 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 27.8 61.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -92.51 134.81 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.4 93.34 8.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -123.1 154.97 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.6 p -84.48 172.46 11.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.67 -36.51 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -75.15 -40.19 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.05 -40.18 94.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.59 -46.78 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.4 -33.09 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 -49.93 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.214 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.03 -49.22 72.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.5 -33.35 81.28 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.89 -34.94 74.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.2 p -80.77 -16.21 54.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -76.24 76.55 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -65.8 -40.87 92.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.211 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.24 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.85 44.88 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -104.56 0.48 28.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.88 -2.88 66.93 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -136.13 174.76 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.147 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.488 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 99.5 mt -108.06 117.16 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.219 170.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.1 173.08 12.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -63.29 -49.08 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.38 90.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.08 -34.75 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.3 -44.04 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.54 -37.05 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.43 -25.96 33.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -69.85 -46.11 66.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.29 -22.3 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 174.213 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.09 -26.45 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.94 -38.47 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.88 -33.39 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -71.16 -25.57 62.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 176.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -66.45 -41.94 88.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.66 -45.7 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.8 m -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.69 -51.54 69.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.49 -36.37 76.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -69.94 -43.9 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.266 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -74.53 -21.11 59.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -72.08 78.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.188 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.93 -41.74 97.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -67.42 -32.36 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.55 35.37 32.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -95.12 -9.86 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.06 20.4 33.36 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -169.78 165.77 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.73 124.96 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -98.35 179.91 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 171.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -65.71 -39.68 91.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 -173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.24 -34.89 79.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.29 -37.89 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.81 -31.85 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.04 -20.35 57.85 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -94.38 -34.32 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.58 -39.88 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 pt -64.51 -19.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -97.38 -27.71 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.22 -27.83 63.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -92.2 -20.78 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.45 23.62 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -101.8 136.91 40.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 111.225 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -80.02 79.99 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.72 140.7 44.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -85.03 172.31 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -58.55 -36.0 73.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.211 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.75 -38.43 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.25 -39.8 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.71 -49.56 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.68 -35.27 76.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.07 -50.61 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.05 -43.54 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.65 -47.15 85.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.61 -36.3 91.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.64 -38.69 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.204 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -70.79 -31.74 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.11 75.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -72.76 -26.48 61.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.46 -13.06 57.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 55.12 44.55 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -102.7 -4.01 25.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.89 2.44 78.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.57 152.71 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 0.0 111.237 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.17 117.06 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.258 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.54 174.92 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.234 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.0 -46.75 83.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.06 -29.82 60.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.53 -34.62 75.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.22 -33.89 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.58 -37.32 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.5 ttm -53.23 -45.7 68.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -77.36 -22.58 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 172.513 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -31.14 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.279 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -34.91 79.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.57 -29.29 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.24 -24.32 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -64.64 -37.02 86.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 171.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.01 -42.33 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -60.63 -41.67 95.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -53.21 -47.21 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.69 -32.98 74.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.86 -40.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -78.8 -27.81 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.165 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -76.67 80.36 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.1 -40.04 95.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.02 29.23 29.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -93.98 -8.68 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.55 6.0 59.91 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.18 148.33 49.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.784 0.326 . . . . 0.0 111.191 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.38 119.46 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.2 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -88.22 -175.06 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -173.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -41.11 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.258 -176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -76.73 -29.98 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.32 -34.41 75.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.29 -36.75 37.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.65 -33.64 76.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.94 -44.94 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.259 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 33' ' ' GLY . 49.7 mm -87.65 -29.92 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.06 -34.66 44.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.28 -34.75 74.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.4 p -124.66 13.06 8.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -104.62 39.13 2.94 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.39 -32.39 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 111.188 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -100.28 7.33 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.205 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.87 148.91 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.32 172.7 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.8 -35.18 77.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.4 -38.58 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.71 -43.26 90.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.14 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.1 -36.48 84.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.32 -39.75 85.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.01 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.54 -49.24 77.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.34 -37.16 93.6 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.22 -38.82 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.9 p -77.01 -21.34 54.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -79.18 75.14 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.4 p -75.84 -25.03 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -80.16 -12.42 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 55.0 46.53 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -121.1 2.13 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.16 10.38 85.56 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -135.85 141.27 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.221 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.12 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -93.55 -173.82 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -62.26 -40.61 96.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.227 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.31 -48.56 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.01 -35.11 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.79 -49.06 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.51 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.88 -37.32 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.8 tpt -65.34 -42.81 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.94 -21.59 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -173.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 175.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.01 -40.23 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.51 -34.99 77.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.41 -34.74 41.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.35 -17.82 60.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -60.29 -37.83 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -75.51 -39.56 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.3 m -60.44 -41.3 93.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.42 -45.54 76.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.98 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.7 -45.08 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.98 -26.01 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.06 74.72 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.88 -45.79 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.68 -14.8 58.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -173.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.03 42.84 50.69 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -84.86 -16.92 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.09 5.7 60.65 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -155.23 165.11 37.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.3 mm -102.18 124.43 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -94.82 -175.98 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.38 -40.11 95.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.51 -46.76 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.43 -26.83 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.49 -38.95 85.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.91 -36.82 43.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.41 -34.84 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.206 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.08 -50.73 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLY . 10.0 tp -68.47 -22.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -54.64 -30.04 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.08 -28.25 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.1 p -125.16 16.16 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -95.96 19.6 53.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.59 -33.91 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 111.175 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -109.18 -1.45 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.56 148.13 22.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.93 172.46 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.19 -35.16 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.77 -40.32 79.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.3 -41.75 85.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.36 -48.1 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.83 -37.48 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.04 -43.26 92.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.05 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.15 -48.79 77.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.84 92.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.81 -40.18 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.217 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -69.88 -38.29 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.21 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -73.28 75.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.217 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.35 -10.03 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.75 44.86 25.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.91 -10.07 22.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.82 13.46 72.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.8 142.42 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.12 123.24 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 174.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -89.42 -178.72 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.5 -37.95 74.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.29 -43.4 83.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.54 -34.91 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.06 -44.61 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.24 -41.45 84.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.08 -37.74 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.7 mtt -64.89 -45.32 86.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -75.69 -21.9 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 170.263 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.13 -29.94 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.24 -41.8 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.44 -33.6 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.97 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.241 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -39.79 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.09 -48.45 76.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.4 m -64.94 -38.34 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.63 -50.83 71.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.03 -35.86 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.71 -43.94 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -71.6 -30.31 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -76.5 76.53 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.8 -35.0 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.79 19.37 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -90.36 -11.66 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.181 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.95 22.68 14.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -174.38 165.7 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 111.171 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -92.8 118.52 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -79.87 170.87 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -62.95 -44.96 94.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.25 -38.96 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -37.32 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HA ' HD13 ' A' ' 28' ' ' ILE . 74.8 t80 -66.0 -38.95 89.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.99 -41.27 84.41 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -68.44 -33.27 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.249 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 25' ' ' PHE . 94.4 mt -61.13 -47.56 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.9 mt -70.16 -35.5 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.04 -30.33 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.33 -57.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -121.42 -8.7 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.24 -169.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.95 1.87 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.7 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.28 -24.49 60.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -90.93 155.66 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -97.01 175.37 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.86 -27.97 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.83 -31.84 61.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.31 -26.45 68.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.6 t -55.41 -55.27 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.28 -38.78 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.86 -45.99 72.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.47 -37.65 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -53.97 -49.27 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.81 -35.03 91.43 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.03 -34.21 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -78.87 -29.74 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -76.32 82.16 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.236 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 p -76.75 -25.1 53.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -82.42 -10.14 59.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.95 42.92 30.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.11 -0.65 43.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.06 33.09 27.39 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -171.82 157.06 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 111.223 -171.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -104.76 114.74 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.17 175.19 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.28 -49.36 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.16 -40.26 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.28 -31.12 68.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -64.57 -42.15 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.207 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -40.08 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.61 -27.65 34.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.77 -42.46 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.84 -13.74 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 -175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 172.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.35 -30.95 70.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.15 -48.05 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.52 -27.94 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -71.89 -27.33 62.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -75.68 -39.99 56.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.19 -43.66 92.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -55.29 -44.51 75.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -34.37 78.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -66.02 -44.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -81.82 -43.18 18.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -84.98 74.12 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.63 -25.65 49.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.99 -28.4 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.64 37.84 15.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -69.78 -34.66 74.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.209 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.95 7.95 59.45 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -162.57 165.36 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.9 mm -104.49 125.31 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.31 170.09 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -66.62 -46.94 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.95 -33.62 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.71 -45.16 75.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.83 -37.89 77.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.07 -31.2 61.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.28 -35.58 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 111.119 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.18 -47.33 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -61.34 -28.43 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.186 -175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -77.21 -22.24 52.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.47 -16.21 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.1 p -86.99 -20.25 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.69 30.48 3.25 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -134.71 95.45 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.186 172.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.28 117.19 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -111.43 152.51 27.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -78.02 173.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.61 -35.35 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.44 -42.05 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -35.79 82.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.53 -46.3 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.9 -38.73 79.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.72 -47.06 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.41 -35.38 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.27 -48.84 73.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.16 -33.45 86.99 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.84 -39.99 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 111.241 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 -34.85 73.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.0 76.53 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.6 p -75.56 -25.07 56.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.87 -13.9 59.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 55.01 43.11 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -102.85 1.19 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.71 -9.95 58.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -137.35 160.65 38.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -92.2 119.97 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.6 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.68 -51.82 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.5 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.58 -45.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -43.26 83.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.226 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.48 -37.5 82.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.243 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -64.59 -43.43 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.1 mmm -60.92 -35.06 75.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 176.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -34.62 73.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -174.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.98 -37.83 88.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.1 -34.56 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.04 -23.26 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -65.45 -40.46 93.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.99 -44.15 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.39 -40.07 96.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.84 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.46 -35.67 78.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.92 -45.17 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -73.01 -31.18 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -76.22 81.81 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.36 -37.46 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.83 -39.81 95.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.08 24.51 54.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -95.94 -0.74 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.194 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.61 11.82 70.56 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 98.7 m-85 -134.65 154.15 51.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 111.193 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.8 mm -96.65 122.98 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -84.84 169.92 13.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -63.32 -42.97 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.67 -37.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -65.5 -37.01 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.51 -40.08 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.07 -40.22 73.03 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.24 -41.55 81.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.236 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.51 -39.93 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.23 -42.59 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.95 -24.95 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -93.78 -15.79 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.57 20.05 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -102.49 150.04 23.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.95 99.98 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.02 171.09 12.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.38 -34.8 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.51 -36.29 76.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.39 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -55.97 -54.77 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.77 -43.27 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.58 -50.12 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.236 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.31 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.04 -48.26 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.07 -34.24 89.27 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.9 -34.48 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -79.72 -26.38 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -76.58 76.83 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.95 -15.57 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.09 42.06 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -105.77 3.11 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.28 -3.03 66.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 89.3 mmt-85 -137.56 154.59 49.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.45 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -100.16 121.19 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -78.16 174.31 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.3 -45.73 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.9 -40.37 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -63.75 -42.8 97.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.9 -39.46 85.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.81 -35.98 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.1 ttp -62.65 -44.26 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.3 mmm -76.1 -27.26 57.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.177 171.657 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -36.14 83.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.72 -37.07 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.74 -39.86 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.243 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 -22.92 57.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -64.98 -42.56 94.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.61 -42.36 86.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.1 m -65.01 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.19 -47.15 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.08 -44.94 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -45.31 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.11 -34.35 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -77.14 77.73 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.58 -31.47 68.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -171.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.14 -20.28 38.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.32 41.21 38.53 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.55 -19.26 42.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.33 10.75 56.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -164.97 169.16 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 111.197 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.5 mm -102.06 121.87 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -96.41 -178.32 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.282 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.84 -44.9 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.79 -37.51 76.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' HA ' HD13 ' A' ' 28' ' ' ILE . 72.0 t80 -65.02 -36.74 85.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.45 -42.07 64.65 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -70.3 -42.41 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.206 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 25' ' ' PHE . 88.0 mt -55.03 -39.75 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.21 -45.98 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.99 -29.88 63.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.85 -28.89 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -88.03 -15.42 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.05 30.58 25.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -100.89 159.04 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -109.97 79.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.07 151.6 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 p -102.95 176.52 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.54 -31.68 71.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.14 -30.05 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -79.75 -31.51 40.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.11 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.28 -41.74 93.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.38 -52.08 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.39 -43.38 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -55.83 -49.73 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.06 -41.1 97.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.62 -35.02 74.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.3 m -78.92 -28.76 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.03 81.62 2.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -76.35 -26.43 55.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.5 -10.75 59.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.269 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.15 42.08 30.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.26 -4.16 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.259 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.44 34.5 16.55 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -172.23 155.63 3.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 43.9 mm -96.79 112.92 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.278 173.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -73.1 174.3 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.84 -47.25 81.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.82 -39.31 93.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.55 -30.39 68.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.43 -42.51 87.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.16 -42.7 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.176 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.05 -36.42 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.6 ttp -64.98 -43.88 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.89 -30.67 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.189 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 174.377 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.319 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.52 -28.69 70.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -56.65 -45.36 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.42 -32.87 48.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.59 -31.46 71.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -68.38 -25.46 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -77.86 -40.52 39.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.18 -42.78 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -55.09 -46.61 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.07 -27.74 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -174.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.48 69.86 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.229 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -72.0 -27.17 62.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.03 -20.61 41.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 41.28 49.36 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.11 -19.34 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.8 15.64 48.45 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -163.57 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.1 mm -100.09 120.82 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -84.13 174.14 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -62.25 -40.32 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.93 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -76.99 -25.2 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.407 ' HA ' HD13 ' A' ' 28' ' ' ILE . 80.2 t80 -68.66 -34.56 75.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.04 -39.31 68.84 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -67.99 -35.96 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 25' ' ' PHE . 95.1 mt -61.42 -50.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.49 -16.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -74.85 -40.59 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.9 mt -90.91 -19.45 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -172.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -93.01 -3.04 55.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.26 45.16 20.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 173.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.57 108.61 17.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.271 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -88.91 99.85 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -113.51 152.67 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.1 p -83.77 173.29 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.54 -37.55 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.73 -42.53 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.6 -37.41 86.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.16 -45.8 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.187 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.65 -39.62 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -49.75 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.47 -39.52 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -56.69 -47.29 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.51 -29.57 72.98 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.36 -38.38 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.5 p -77.56 -20.2 54.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.65 75.09 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.247 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -61.29 -40.92 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -75.91 -12.01 60.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.226 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 55.21 45.51 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -101.42 2.67 39.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.46 -7.95 61.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -138.95 169.1 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -99.31 117.48 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -76.51 172.48 12.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.252 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.68 -54.17 50.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.49 -36.04 82.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.35 -35.94 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.4 -44.38 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.19 -44.17 92.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -41.33 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.2 ttp -62.09 -47.77 83.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.3 mmm -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 174.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.65 -31.79 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.1 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.69 -35.15 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.18 -24.28 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -57.91 -38.65 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.219 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.33 -41.19 49.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.32 -40.74 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -55.12 -46.89 75.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.7 -34.73 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.3 -43.83 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -80.35 -26.52 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.11 74.3 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -74.38 -22.31 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -170.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -89.89 -19.9 24.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.97 40.46 35.31 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.98 -18.81 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.17 14.34 54.51 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -165.77 165.47 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.219 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -102.81 116.83 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -91.93 -174.98 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -61.15 -45.13 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -170.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.7 -39.62 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.23 -30.15 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.44 -36.01 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.87 -37.34 61.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -68.94 -35.09 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.66 -48.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -71.38 -34.42 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -54.45 -42.52 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.232 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -57.87 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -106.28 -17.04 14.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 -165.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.95 55.03 1.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -26.78 68.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.42 -4.54 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.64 153.3 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.2 p -93.2 175.01 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.41 -31.79 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.44 -28.02 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.16 -53.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.91 -37.21 75.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.42 -47.42 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.93 -37.29 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.93 -50.59 68.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.22 92.81 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.47 -35.91 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -82.06 -18.97 41.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -79.3 74.89 5.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.6 m -64.91 -38.4 90.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.16 -9.94 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.61 45.01 25.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.01 -9.67 33.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.03 14.05 70.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -154.95 159.58 40.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.221 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.8 mm -108.3 116.62 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.49 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.13 -40.35 95.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.8 -39.26 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.31 -27.21 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.35 -44.89 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.82 -37.24 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -80.89 -35.06 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.6 ttp -64.14 -43.34 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.17 -29.94 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 175.383 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.99 -32.31 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.35 -41.33 85.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.3 -32.26 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.9 -34.83 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.209 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -67.39 -40.32 85.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.07 -43.84 90.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.92 -46.02 74.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.95 -34.17 77.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.98 -44.65 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -80.38 -24.31 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -75.33 77.99 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.35 -36.71 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.1 -39.77 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 23.38 51.89 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -95.94 -0.61 50.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 111.315 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.87 10.35 75.88 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.32 154.94 51.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -98.22 118.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.81 171.76 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -57.43 -45.04 85.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.09 -40.24 90.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -69.46 -30.36 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HA ' HD13 ' A' ' 28' ' ' ILE . 65.2 t80 -67.58 -40.64 84.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 174.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -37.47 92.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 173.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -65.66 -38.1 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 25' ' ' PHE . 89.6 mt -55.86 -49.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 174.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.88 -41.4 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -68.75 -39.51 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.8 -30.15 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.7 p -80.36 -20.36 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.05 40.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 172.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -84.83 129.12 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 111.18 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -80.22 79.98 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.221 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.22 149.62 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -85.32 170.09 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.61 -34.88 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.35 -36.94 77.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.35 -41.56 98.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.73 -48.07 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.27 -43.61 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.53 -50.16 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.01 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.69 -49.74 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -33.48 87.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.97 -38.72 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -77.58 -21.15 52.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.04 75.19 10.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.198 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -59.67 -44.54 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.19 -171.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -92.19 5.15 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 54.78 46.01 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 173.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -97.58 -2.06 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.83 8.64 82.33 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -137.79 147.17 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.26 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.8 mt -103.38 121.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 170.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -86.45 -173.81 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -66.61 -42.9 86.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -172.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.04 -44.82 95.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.5 -31.36 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.38 -46.48 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.5 mp -57.76 -37.57 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.09 -36.85 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.2 mmt -72.72 -31.74 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.17 -28.65 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.228 175.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.85 -30.33 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.22 -35.57 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.16 -33.03 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 173.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -84.02 -14.06 51.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -65.82 -38.92 90.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 168.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.28 -42.77 92.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.91 -41.78 99.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -55.95 -43.23 77.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.81 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.51 -44.87 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -77.19 -30.44 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.266 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -77.61 70.82 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 172.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.86 -25.51 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.22 -35.55 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.96 37.48 12.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -96.83 -10.89 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.39 17.46 49.75 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -162.38 172.03 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.89 117.94 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.14 170.03 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 175.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.38 -45.09 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -35.07 77.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -70.38 -30.44 67.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -65.67 -34.99 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.32 -33.6 58.49 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.59 -33.24 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.196 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.32 -45.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -75.3 -19.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.98 -39.49 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.224 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.23 -4.88 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.21 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.0 m -76.84 -41.32 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 166.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.53 23.22 7.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.26 99.78 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -80.07 100.01 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.63 153.52 25.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.132 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.7 p -79.34 172.75 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.05 -35.67 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -81.28 -40.29 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.245 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.21 -35.17 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.96 -42.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.53 -40.88 98.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.92 -48.73 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.81 -31.58 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.01 -47.77 84.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.82 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.95 -34.72 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -77.04 -25.12 52.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -72.8 76.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.7 m -64.0 -37.84 88.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.83 -9.62 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.91 44.93 24.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -92.0 -9.16 43.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.42 -26.95 18.47 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -139.89 172.71 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.19 121.39 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.17 -175.05 5.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.56 -37.63 77.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.09 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.283 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -78.24 -30.32 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.52 -46.39 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.9 -33.84 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -73.45 -33.91 65.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.0 mmt -69.69 -29.49 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.1 mmm -75.27 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.166 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -178.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.12 -41.02 62.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.98 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -34.14 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -75.8 -24.07 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -64.87 -39.92 94.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.45 -45.4 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.23 -37.37 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.17 -46.19 89.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.96 -34.85 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.268 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.8 -45.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -71.45 -36.16 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.203 -173.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.94 75.05 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.263 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.07 -30.17 67.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.88 -24.32 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.03 36.2 47.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.85 -21.87 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 18.8 24.4 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -176.1 166.19 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.5 mm -90.85 117.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -80.02 170.03 17.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -64.67 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.85 -37.51 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.245 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.24 -36.5 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.224 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.08 -39.6 92.32 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.51 -38.15 88.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.58 -41.15 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.73 -30.0 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.243 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.97 -46.15 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.7 p -119.37 -16.15 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -168.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.9 1.87 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.92 -29.81 70.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.229 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.21 -2.48 55.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.244 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.1 148.7 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -91.36 175.06 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.93 -28.25 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.9 -34.62 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.02 -27.43 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.05 -55.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.85 -36.04 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.68 -51.07 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.95 -38.33 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -37.06 93.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.52 -34.63 77.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.0 m -78.32 -29.98 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -81.08 75.21 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -75.74 -16.82 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -177.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.06 -10.03 57.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.03 43.25 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.94 -8.0 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.95 31.07 27.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -172.26 156.73 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.237 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 90.8 mt -109.44 110.48 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.95 170.1 16.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.18 -39.94 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.75 -38.28 81.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.53 -18.81 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -66.42 -42.17 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.45 -30.44 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -79.1 -37.99 37.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -65.03 -44.76 88.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.245 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.39 -27.93 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 176.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.0 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.05 -30.48 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -37.55 80.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 176.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.34 -34.75 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -71.88 -26.79 62.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -67.96 -42.07 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -45.79 88.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -64.97 -37.35 87.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.55 -47.33 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.5 -39.2 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.21 -45.16 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.74 -30.63 64.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -170.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.12 81.02 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.195 173.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.9 -34.89 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -174.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -68.49 -34.89 76.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 32.97 22.05 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -84.94 -14.71 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.94 20.45 16.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -172.61 164.83 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.3 mm -88.3 119.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -80.67 170.01 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -63.28 -49.57 73.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.32 -31.58 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.2 -34.95 77.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HA ' HD13 ' A' ' 28' ' ' ILE . 83.2 t80 -64.96 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 173.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.72 -39.4 54.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.18 -41.75 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 25' ' ' PHE . 90.1 mt -55.06 -39.9 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.43 -42.18 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.96 -30.56 66.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.31 -25.06 57.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -94.82 -17.29 22.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.205 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.01 34.22 24.66 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -99.94 151.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 111.206 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -100.04 70.14 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -104.28 154.34 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -88.55 170.99 10.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.86 -35.56 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.36 -38.31 90.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.51 -54.22 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.78 -40.61 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.38 -49.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.03 -40.1 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.91 -51.73 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.73 93.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.293 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -65.88 -39.92 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -72.87 114.88 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -94.83 -10.17 32.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.228 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -100.06 -13.0 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.93 47.0 10.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -111.48 -8.39 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.16 41.84 6.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -148.56 157.73 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.181 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.404 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 87.0 mt -121.26 107.75 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 171.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -76.29 178.97 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -63.61 -51.13 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.12 -39.73 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.27 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.24 -42.95 99.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.09 -44.84 87.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.33 -35.43 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.3 ttp -65.0 -47.13 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.21 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 174.224 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.01 -28.67 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.45 -32.8 54.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.8 -25.57 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -73.61 -28.34 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.83 -40.17 65.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.35 -43.78 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.16 -44.4 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.38 -31.41 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.48 -45.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.75 -26.83 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -171.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -78.19 70.92 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -69.92 -23.9 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.246 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.8 -28.41 55.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.94 34.98 51.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -86.73 -15.03 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.13 13.62 55.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -166.76 169.29 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.255 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -99.93 117.67 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -92.5 -174.3 3.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -46.2 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -169.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.42 -46.66 82.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.254 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.77 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.219 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.426 ' HA ' HD13 ' A' ' 28' ' ' ILE . 66.9 t80 -70.16 -38.15 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.68 -39.67 76.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.26 -37.34 85.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 0.0 111.229 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 25' ' ' PHE . 88.3 mt -59.41 -41.67 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.38 -41.09 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.96 -41.95 99.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 176.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -81.86 -19.95 39.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.8 m -69.31 -40.16 77.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.14 26.85 4.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.3 140.3 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -99.87 70.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.1 mt -90.86 151.04 21.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.5 p -81.27 174.92 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 173.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.88 -35.03 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.27 -39.85 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.0 -37.13 83.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.01 -43.07 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.01 -32.3 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.49 -49.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -74.21 -30.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.208 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -55.19 -50.55 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 171.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.87 -33.22 85.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.223 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -75.41 -31.14 60.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -77.6 79.55 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -61.98 -39.46 92.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.93 -7.12 58.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.62 44.99 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -88.06 -8.26 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.65 26.47 32.37 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -172.72 154.56 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.2 -173.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -107.9 111.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.26 -175.01 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -62.73 -46.57 87.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.39 -44.64 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.07 -29.8 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.55 -44.37 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.62 -36.19 80.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -70.17 -39.31 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -68.82 -42.79 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mmm -65.32 -21.74 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 173.699 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.77 -30.02 70.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.69 -42.43 97.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.7 -31.39 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.96 -23.65 58.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -40.01 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.263 170.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.89 -41.43 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.3 m -60.55 -40.37 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.43 -47.01 70.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 176.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.54 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -68.93 -47.45 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.16 -31.36 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -171.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.04 75.95 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.67 -37.47 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.37 -36.0 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.87 31.52 20.58 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.24 -29.57 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.35 -6.11 71.4 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.85 143.08 48.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.4 115.72 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -95.07 -172.39 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -64.77 -34.78 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.54 -44.81 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.262 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -73.15 -35.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -61.21 -43.66 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.23 -40.36 97.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.16 -39.82 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.88 -40.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.21 -44.63 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.62 -30.48 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.94 -31.5 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -86.12 -17.43 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.92 34.88 46.57 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -92.91 144.7 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.221 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.87 99.97 10.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.8 mt -121.81 145.05 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.3 p -84.9 173.85 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 174.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.91 -29.52 69.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.26 -39.25 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.3 -44.86 88.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 m -71.09 -25.78 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -77.85 -35.08 51.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.77 -44.19 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.29 -49.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.94 -44.48 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.8 -44.18 95.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -65.11 -37.7 88.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.218 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 m -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -73.44 79.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -81.12 -25.6 36.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.59 -15.16 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.03 47.68 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -122.5 3.86 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.98 6.22 85.27 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.04 129.61 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 98.6 mt -88.11 112.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -85.42 -172.3 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.95 -53.52 56.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.39 -37.94 89.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -70.08 -30.57 67.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.02 -40.48 95.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.57 -37.51 75.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -70.71 -40.8 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -59.87 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.4 mmm -62.56 -30.32 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.244 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.166 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.12 -31.12 71.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.95 -44.77 96.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.29 -32.92 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.96 -21.32 59.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -65.12 -40.83 95.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 170.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.81 -43.35 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.1 m -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.5 -46.2 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.81 -35.68 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.9 -42.48 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -76.38 -25.38 54.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -73.79 72.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 169.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.26 -27.44 59.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -71.37 -36.64 71.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.81 39.25 8.21 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.15 -10.35 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.13 -5.53 68.41 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.75 163.83 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.22 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.6 mm -88.89 122.25 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -81.03 170.17 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -62.69 -45.79 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.5 -33.45 74.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.42 -30.2 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.99 -35.44 81.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.21 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.28 -41.57 47.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.3 -33.22 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.202 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.6 mt -75.26 -54.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.77 -20.02 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -74.38 -14.2 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.4 -36.45 78.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -124.49 -13.15 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 175.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.11 41.03 2.34 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -69.96 -12.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.17 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.26 3.63 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -92.58 155.16 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -84.83 166.44 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.35 -30.01 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 172.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.66 -40.6 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 174.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.91 -44.97 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -37.9 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.11 -44.57 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.22 -40.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.83 -50.14 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.14 -34.54 89.95 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.16 -37.59 81.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 111.191 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -79.28 -20.01 49.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.97 74.87 9.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.267 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.1 -7.24 58.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.34 45.84 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.81 -11.97 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.14 3.37 79.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -139.95 156.61 46.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.225 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -107.63 122.31 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 172.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.37 -174.95 5.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -68.16 -39.58 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.71 -44.94 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.32 -31.75 58.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.186 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.95 -45.96 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -34.64 78.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.92 -32.29 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.2 mmt -76.44 -31.63 57.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 176.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -87.74 -7.27 57.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.194 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.333 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.76 -30.28 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -37.03 86.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -81.44 -27.69 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.37 -32.51 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.65 -29.14 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.26 -43.44 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.42 -36.07 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.43 -47.95 81.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.03 -49.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.206 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.87 -32.7 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -84.88 73.91 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.34 -30.13 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -173.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.51 -25.7 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.42 36.85 37.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.52 -23.83 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.36 18.97 26.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -175.4 167.34 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.4 mm -102.6 119.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.205 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -95.11 -176.12 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.86 -22.38 58.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 -171.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.12 -40.28 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.9 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.95 -42.0 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.95 -40.25 72.16 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -36.88 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.99 -45.77 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.0 pt -80.02 -19.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -65.09 -34.91 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.25 -25.2 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -93.89 -17.48 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.87 25.94 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -105.76 115.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 111.237 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -91.56 100.08 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -108.54 149.74 28.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.5 p -85.04 170.61 12.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.06 -36.65 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.14 -40.56 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.37 -46.39 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.48 -42.88 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.98 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.07 -43.53 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.03 -45.0 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -71.04 -39.76 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.38 87.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.62 -35.08 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.157 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -107.02 20.17 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -81.12 104.94 11.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -74.61 -49.0 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -112.51 23.04 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 -169.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 55.9 41.76 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -124.18 11.24 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.77 46.19 84.47 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -144.45 160.75 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.182 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.83 119.36 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -83.69 -178.35 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -65.21 -40.95 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -57.21 -37.85 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -89.82 -22.28 22.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.63 -34.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.22 -26.58 60.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -82.9 -37.29 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.2 ttm -53.3 -45.9 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.6 mmm -67.98 -19.46 64.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.179 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 173.55 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.2 -31.31 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.04 -35.39 80.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.261 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -76.85 -33.81 57.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.206 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.51 -24.86 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -64.07 -41.32 97.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.35 -44.77 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.31 -40.27 95.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -36.1 82.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.99 -41.49 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -79.64 -26.96 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.54 77.34 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.16 -35.78 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.291 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.86 39.46 24.38 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.29 -10.69 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.23 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.56 15.41 53.08 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -162.77 168.01 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.0 mm -94.25 120.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.26 170.19 16.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -64.08 -44.33 92.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -37.43 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.255 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.14 -35.49 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -65.25 -40.18 93.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.25 65.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.35 -42.03 84.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.71 -44.94 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -55.18 -43.96 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.67 -40.57 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.53 -22.72 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -91.45 -10.06 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.93 28.15 47.14 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.49 131.26 40.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.188 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -91.33 89.79 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.231 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.2 mt -120.29 154.34 35.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -82.93 171.93 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -35.05 68.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.98 -43.03 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.97 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.21 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -43.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.2 -34.84 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.52 -46.73 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 -37.23 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.276 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.91 -32.74 85.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.67 -38.75 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.211 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.2 p -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -77.44 75.7 3.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.7 m -64.2 -39.31 93.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.35 -10.13 59.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.37 44.31 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.188 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -106.79 -1.32 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.287 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.6 23.18 58.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -151.4 159.96 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.214 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 93.8 mt -111.85 118.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.84 170.8 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.234 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.05 -45.97 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.79 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.37 -26.39 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.52 -45.23 91.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -34.32 72.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.45 -40.62 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -64.84 -40.98 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.13 -23.09 65.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -84.24 -31.5 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -84.21 -21.62 31.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.3 t -114.5 117.8 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.449 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.84 -47.38 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -33.98 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -64.97 -34.96 79.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 177.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -63.05 -42.3 99.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.27 -44.07 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.37 -36.82 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -61.24 -46.25 91.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.84 -35.27 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.82 -46.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.22 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -72.84 -29.68 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.02 86.99 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.64 -31.32 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -169.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.93 -26.85 17.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -174.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.19 38.3 9.24 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.84 -19.96 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.258 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.09 8.91 57.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -159.37 167.73 28.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.148 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -99.41 119.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.42 171.0 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.42 -35.78 78.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.21 -37.56 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.7 -40.66 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.09 79.87 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.89 -42.88 89.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.221 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.1 mt -54.21 -40.04 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.0 -38.94 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -78.08 -25.04 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.84 -27.19 55.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -92.26 -15.09 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.25 23.81 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -100.24 149.32 23.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.0 95.87 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.91 152.62 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.56 171.42 11.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.228 170.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -35.46 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.69 -39.37 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.68 -46.46 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.3 t -64.81 -48.93 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.231 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.87 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.27 -49.93 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.11 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.68 -50.14 68.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.45 93.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.65 -35.54 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.241 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 m -72.69 -31.97 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.84 80.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -76.67 -25.05 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.252 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.79 -9.93 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.18 44.84 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -98.09 -1.62 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.9 31.09 27.24 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -172.5 156.25 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.0 mt -100.45 115.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 174.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.01 173.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.197 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.81 -49.53 77.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.29 -39.84 95.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.71 -31.75 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.55 -44.19 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.76 -42.02 83.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.4 -37.2 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.16 -45.86 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.23 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.96 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -77.46 -35.61 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -85.52 -20.45 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.03 108.38 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.228 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.22 -30.38 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.248 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.69 -35.14 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.01 -34.26 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.95 -25.2 61.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -61.42 -38.91 88.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -72.49 -40.31 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.22 -40.43 93.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.64 -46.5 88.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.84 -35.16 79.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.34 -46.17 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -74.98 -28.72 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -77.4 85.91 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.38 -26.63 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.267 -169.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.62 -28.07 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 35.78 10.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.67 -24.67 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 12.11 41.34 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.0 168.37 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.5 mm -99.79 121.53 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.243 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.19 170.14 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.13 -44.97 90.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.54 -36.35 78.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.02 -35.87 81.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.43 -39.12 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.32 -40.97 69.95 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.0 -43.15 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.99 -44.89 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.3 mm -58.95 -40.93 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -68.19 -35.8 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.67 -29.71 64.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -86.11 -6.88 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 27.8 61.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -92.51 134.81 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.4 93.34 8.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -123.1 154.97 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.6 p -84.48 172.46 11.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.67 -36.51 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -75.15 -40.19 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.05 -40.18 94.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.59 -46.78 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.4 -33.09 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 -49.93 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.214 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.03 -49.22 72.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.5 -33.35 81.28 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.89 -34.94 74.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.2 p -80.77 -16.21 54.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -76.24 76.55 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -65.8 -40.87 92.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.211 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.24 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.85 44.88 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -104.56 0.48 28.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.88 -2.88 66.93 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -136.13 174.76 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.147 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.488 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 99.5 mt -108.06 117.16 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.219 170.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.1 173.08 12.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -63.29 -49.08 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.38 90.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.08 -34.75 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.3 -44.04 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.54 -37.05 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.43 -25.96 33.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -69.85 -46.11 66.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.29 -22.3 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.69 -24.77 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.69 7.22 45.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.209 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -107.12 119.25 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.702 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.09 -26.45 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.94 -38.47 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.88 -33.39 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -71.16 -25.57 62.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 176.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -66.45 -41.94 88.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.66 -45.7 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.8 m -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.69 -51.54 69.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.49 -36.37 76.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -69.94 -43.9 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.266 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -74.53 -21.11 59.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -72.08 78.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.188 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.93 -41.74 97.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -67.42 -32.36 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.55 35.37 32.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -95.12 -9.86 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.06 20.4 33.36 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -169.78 165.77 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.73 124.96 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -98.35 179.91 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 171.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -65.71 -39.68 91.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 -173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.24 -34.89 79.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.29 -37.89 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.81 -31.85 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.04 -20.35 57.85 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -94.38 -34.32 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.58 -39.88 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 pt -64.51 -19.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -97.38 -27.71 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.22 -27.83 63.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -92.2 -20.78 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.45 23.62 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -101.8 136.91 40.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 111.225 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -80.02 79.99 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.72 140.7 44.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -85.03 172.31 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -58.55 -36.0 73.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.211 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.75 -38.43 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.25 -39.8 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.71 -49.56 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.68 -35.27 76.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.07 -50.61 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.05 -43.54 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.65 -47.15 85.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.61 -36.3 91.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.64 -38.69 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.204 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -70.79 -31.74 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.11 75.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -72.76 -26.48 61.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.46 -13.06 57.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 55.12 44.55 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -102.7 -4.01 25.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.89 2.44 78.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.57 152.71 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 0.0 111.237 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.17 117.06 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.258 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.54 174.92 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.234 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.0 -46.75 83.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.06 -29.82 60.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.53 -34.62 75.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.22 -33.89 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.58 -37.32 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.5 ttm -53.23 -45.7 68.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -77.36 -22.58 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.03 -40.32 94.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -89.04 -23.17 22.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.5 t -124.59 79.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -177.523 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -31.14 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.279 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -34.91 79.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.57 -29.29 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.24 -24.32 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -64.64 -37.02 86.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 171.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.01 -42.33 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -60.63 -41.67 95.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -53.21 -47.21 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.69 -32.98 74.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.86 -40.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -78.8 -27.81 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.165 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -76.67 80.36 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.1 -40.04 95.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.02 29.23 29.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -93.98 -8.68 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.55 6.0 59.91 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.18 148.33 49.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.784 0.326 . . . . 0.0 111.191 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.38 119.46 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.2 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -88.22 -175.06 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -173.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -41.11 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.258 -176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -76.73 -29.98 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.32 -34.41 75.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.29 -36.75 37.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.65 -33.64 76.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.94 -44.94 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.259 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 33' ' ' GLY . 49.7 mm -87.65 -29.92 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.06 -34.66 44.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.28 -34.75 74.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.4 p -124.66 13.06 8.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -104.62 39.13 2.94 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.39 -32.39 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 111.188 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -100.28 7.33 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.205 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.87 148.91 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.32 172.7 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.8 -35.18 77.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.4 -38.58 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.71 -43.26 90.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.14 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.1 -36.48 84.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.32 -39.75 85.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.01 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.54 -49.24 77.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.34 -37.16 93.6 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.22 -38.82 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.9 p -77.01 -21.34 54.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -79.18 75.14 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.4 p -75.84 -25.03 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -80.16 -12.42 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 55.0 46.53 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -121.1 2.13 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.16 10.38 85.56 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -135.85 141.27 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.221 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.12 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -93.55 -173.82 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -62.26 -40.61 96.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.227 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.31 -48.56 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.01 -35.11 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.79 -49.06 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.51 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.88 -37.32 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.8 tpt -65.34 -42.81 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.94 -21.59 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -173.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.26 -27.87 69.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.58 5.4 47.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.2 t -100.84 123.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.126 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.01 -40.23 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.51 -34.99 77.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.41 -34.74 41.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.35 -17.82 60.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -60.29 -37.83 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -75.51 -39.56 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.3 m -60.44 -41.3 93.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.42 -45.54 76.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.98 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.7 -45.08 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.98 -26.01 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.06 74.72 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.88 -45.79 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.68 -14.8 58.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -173.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.03 42.84 50.69 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -84.86 -16.92 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.09 5.7 60.65 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -155.23 165.11 37.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.3 mm -102.18 124.43 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -94.82 -175.98 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.38 -40.11 95.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.51 -46.76 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.43 -26.83 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.49 -38.95 85.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.91 -36.82 43.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.41 -34.84 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.206 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.08 -50.73 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLY . 10.0 tp -68.47 -22.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -54.64 -30.04 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.08 -28.25 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.1 p -125.16 16.16 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -95.96 19.6 53.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.59 -33.91 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 111.175 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -109.18 -1.45 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.56 148.13 22.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.93 172.46 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.19 -35.16 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.77 -40.32 79.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.3 -41.75 85.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.36 -48.1 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.83 -37.48 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.04 -43.26 92.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.05 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.15 -48.79 77.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.84 92.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.81 -40.18 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.217 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -69.88 -38.29 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.21 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -73.28 75.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.217 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.35 -10.03 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.75 44.86 25.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.91 -10.07 22.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.82 13.46 72.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.8 142.42 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.12 123.24 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 174.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -89.42 -178.72 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.5 -37.95 74.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.29 -43.4 83.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.54 -34.91 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.06 -44.61 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.24 -41.45 84.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.08 -37.74 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.7 mtt -64.89 -45.32 86.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -75.69 -21.9 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.25 -41.07 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.13 -45.54 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.238 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.13 -29.94 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.24 -41.8 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.44 -33.6 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.97 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.241 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -39.79 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.09 -48.45 76.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.4 m -64.94 -38.34 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.63 -50.83 71.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.03 -35.86 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.71 -43.94 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -71.6 -30.31 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -76.5 76.53 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.8 -35.0 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.79 19.37 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -90.36 -11.66 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.181 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.95 22.68 14.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -174.38 165.7 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 111.171 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -92.8 118.52 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -79.87 170.87 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -62.95 -44.96 94.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.25 -38.96 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -37.32 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HA ' HD13 ' A' ' 28' ' ' ILE . 74.8 t80 -66.0 -38.95 89.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.99 -41.27 84.41 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -68.44 -33.27 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.249 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 25' ' ' PHE . 94.4 mt -61.13 -47.56 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.9 mt -70.16 -35.5 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.04 -30.33 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.33 -57.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -121.42 -8.7 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.24 -169.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.95 1.87 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.7 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.28 -24.49 60.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -90.93 155.66 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -97.01 175.37 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.86 -27.97 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.83 -31.84 61.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.31 -26.45 68.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.6 t -55.41 -55.27 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.28 -38.78 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.86 -45.99 72.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.47 -37.65 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -53.97 -49.27 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.81 -35.03 91.43 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.03 -34.21 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -78.87 -29.74 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -76.32 82.16 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.236 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 p -76.75 -25.1 53.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -82.42 -10.14 59.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.95 42.92 30.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.11 -0.65 43.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.06 33.09 27.39 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -171.82 157.06 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 111.223 -171.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -104.76 114.74 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.17 175.19 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.28 -49.36 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.16 -40.26 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.28 -31.12 68.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -64.57 -42.15 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.207 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -40.08 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.61 -27.65 34.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.77 -42.46 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.84 -13.74 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 -175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.61 -32.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.87 -23.02 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.2 t -114.77 122.48 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 178.29 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.35 -30.95 70.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.15 -48.05 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.52 -27.94 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -71.89 -27.33 62.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -75.68 -39.99 56.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.19 -43.66 92.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -55.29 -44.51 75.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -34.37 78.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -66.02 -44.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -81.82 -43.18 18.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -84.98 74.12 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.63 -25.65 49.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.99 -28.4 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.64 37.84 15.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -69.78 -34.66 74.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.209 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.95 7.95 59.45 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -162.57 165.36 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.9 mm -104.49 125.31 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.31 170.09 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -66.62 -46.94 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.95 -33.62 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.71 -45.16 75.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.83 -37.89 77.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.07 -31.2 61.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.28 -35.58 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 111.119 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.18 -47.33 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -61.34 -28.43 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.186 -175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -77.21 -22.24 52.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.47 -16.21 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.1 p -86.99 -20.25 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.69 30.48 3.25 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -134.71 95.45 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.186 172.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.28 117.19 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -111.43 152.51 27.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -78.02 173.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.61 -35.35 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.44 -42.05 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -35.79 82.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.53 -46.3 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.9 -38.73 79.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.72 -47.06 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.41 -35.38 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.27 -48.84 73.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.16 -33.45 86.99 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.84 -39.99 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 111.241 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 -34.85 73.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.0 76.53 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.6 p -75.56 -25.07 56.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.87 -13.9 59.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 55.01 43.11 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -102.85 1.19 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.71 -9.95 58.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -137.35 160.65 38.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -92.2 119.97 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.6 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.68 -51.82 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.5 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.58 -45.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -43.26 83.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.226 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.48 -37.5 82.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.243 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -64.59 -43.43 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.1 mmm -60.92 -35.06 75.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.45 -23.79 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -97.39 7.64 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.243 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.5 124.88 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -34.62 73.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -174.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.98 -37.83 88.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.1 -34.56 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.04 -23.26 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -65.45 -40.46 93.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.99 -44.15 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.39 -40.07 96.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.84 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.46 -35.67 78.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.92 -45.17 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -73.01 -31.18 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -76.22 81.81 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.36 -37.46 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.83 -39.81 95.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.08 24.51 54.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -95.94 -0.74 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.194 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.61 11.82 70.56 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 98.7 m-85 -134.65 154.15 51.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 111.193 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.8 mm -96.65 122.98 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -84.84 169.92 13.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -63.32 -42.97 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.67 -37.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -65.5 -37.01 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.51 -40.08 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.07 -40.22 73.03 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.24 -41.55 81.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.236 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.51 -39.93 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.23 -42.59 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.95 -24.95 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -93.78 -15.79 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.57 20.05 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -102.49 150.04 23.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.95 99.98 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.02 171.09 12.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.38 -34.8 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.51 -36.29 76.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.39 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -55.97 -54.77 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.77 -43.27 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.58 -50.12 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.236 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.31 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.04 -48.26 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.07 -34.24 89.27 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.9 -34.48 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -79.72 -26.38 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -76.58 76.83 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.95 -15.57 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.09 42.06 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -105.77 3.11 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.28 -3.03 66.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 89.3 mmt-85 -137.56 154.59 49.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.45 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -100.16 121.19 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -78.16 174.31 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.3 -45.73 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.9 -40.37 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -63.75 -42.8 97.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.9 -39.46 85.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.81 -35.98 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.1 ttp -62.65 -44.26 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.401 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 99.3 mmm -76.1 -27.26 57.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.11 -40.23 92.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.177 171.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -107.95 34.93 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 65' ' ' MET . 10.7 p -59.11 139.71 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' OXT' ' HG3' ' A' ' 69' ' ' GLN . 63.6 tp60 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -36.14 83.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.72 -37.07 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.74 -39.86 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.243 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 -22.92 57.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -64.98 -42.56 94.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.61 -42.36 86.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.1 m -65.01 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.19 -47.15 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.08 -44.94 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -45.31 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.11 -34.35 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -77.14 77.73 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.58 -31.47 68.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -171.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.14 -20.28 38.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.32 41.21 38.53 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.55 -19.26 42.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.33 10.75 56.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -164.97 169.16 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 111.197 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.5 mm -102.06 121.87 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -96.41 -178.32 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.282 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.84 -44.9 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.79 -37.51 76.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' HA ' HD13 ' A' ' 28' ' ' ILE . 72.0 t80 -65.02 -36.74 85.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.45 -42.07 64.65 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -70.3 -42.41 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.206 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 25' ' ' PHE . 88.0 mt -55.03 -39.75 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.21 -45.98 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.99 -29.88 63.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.85 -28.89 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -88.03 -15.42 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.05 30.58 25.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -100.89 159.04 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -109.97 79.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.07 151.6 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 p -102.95 176.52 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.54 -31.68 71.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.14 -30.05 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -79.75 -31.51 40.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.11 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.28 -41.74 93.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.38 -52.08 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.39 -43.38 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -55.83 -49.73 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.06 -41.1 97.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.62 -35.02 74.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.3 m -78.92 -28.76 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.03 81.62 2.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -76.35 -26.43 55.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.5 -10.75 59.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.269 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.15 42.08 30.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.26 -4.16 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.259 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.44 34.5 16.55 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -172.23 155.63 3.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 43.9 mm -96.79 112.92 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.278 173.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -73.1 174.3 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.84 -47.25 81.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.82 -39.31 93.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.55 -30.39 68.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.43 -42.51 87.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.16 -42.7 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.176 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.05 -36.42 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.6 ttp -64.98 -43.88 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.89 -30.67 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.189 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.58 -40.04 93.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -109.96 33.58 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' GLN . 7.6 p -64.92 141.13 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' A' ' 68' ' ' VAL . 66.3 tp60 . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.319 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.52 -28.69 70.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -56.65 -45.36 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.42 -32.87 48.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.59 -31.46 71.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -68.38 -25.46 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -77.86 -40.52 39.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.18 -42.78 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -55.09 -46.61 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.07 -27.74 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -174.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.48 69.86 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.229 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -72.0 -27.17 62.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.03 -20.61 41.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 41.28 49.36 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.11 -19.34 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.8 15.64 48.45 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -163.57 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.1 mm -100.09 120.82 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -84.13 174.14 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -62.25 -40.32 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.93 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -76.99 -25.2 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.407 ' HA ' HD13 ' A' ' 28' ' ' ILE . 80.2 t80 -68.66 -34.56 75.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.04 -39.31 68.84 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -67.99 -35.96 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 25' ' ' PHE . 95.1 mt -61.42 -50.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.49 -16.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -74.85 -40.59 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.9 mt -90.91 -19.45 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -172.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -93.01 -3.04 55.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.26 45.16 20.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 173.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.57 108.61 17.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.271 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -88.91 99.85 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -113.51 152.67 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.1 p -83.77 173.29 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.54 -37.55 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.73 -42.53 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.6 -37.41 86.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.16 -45.8 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.187 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.65 -39.62 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -49.75 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.47 -39.52 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -56.69 -47.29 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.51 -29.57 72.98 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.36 -38.38 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.5 p -77.56 -20.2 54.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.65 75.09 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.247 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -61.29 -40.92 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -75.91 -12.01 60.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.226 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 55.21 45.51 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -101.42 2.67 39.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.46 -7.95 61.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -138.95 169.1 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -99.31 117.48 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -76.51 172.48 12.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.252 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.68 -54.17 50.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.49 -36.04 82.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.35 -35.94 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.4 -44.38 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.19 -44.17 92.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -41.33 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.2 ttp -62.09 -47.77 83.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.3 mmm -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.74 -39.29 84.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -106.52 31.98 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.06 140.41 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.586 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.65 -31.79 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.1 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.69 -35.15 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.18 -24.28 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -57.91 -38.65 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.219 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.33 -41.19 49.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.32 -40.74 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -55.12 -46.89 75.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.7 -34.73 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.3 -43.83 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -80.35 -26.52 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.11 74.3 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -74.38 -22.31 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -170.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -89.89 -19.9 24.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.97 40.46 35.31 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.98 -18.81 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.17 14.34 54.51 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -165.77 165.47 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.219 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -102.81 116.83 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -91.93 -174.98 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -61.15 -45.13 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -170.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.7 -39.62 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.23 -30.15 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.44 -36.01 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.87 -37.34 61.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -68.94 -35.09 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.66 -48.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -71.38 -34.42 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -54.45 -42.52 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.232 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -57.87 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -106.28 -17.04 14.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 -165.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.95 55.03 1.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -26.78 68.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.42 -4.54 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.64 153.3 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.2 p -93.2 175.01 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.41 -31.79 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.44 -28.02 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.16 -53.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.91 -37.21 75.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.42 -47.42 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.93 -37.29 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.93 -50.59 68.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.22 92.81 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.47 -35.91 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -82.06 -18.97 41.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -79.3 74.89 5.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.6 m -64.91 -38.4 90.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.16 -9.94 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.61 45.01 25.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.01 -9.67 33.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.03 14.05 70.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -154.95 159.58 40.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.221 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.8 mm -108.3 116.62 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.49 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.13 -40.35 95.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.8 -39.26 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.31 -27.21 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.35 -44.89 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.82 -37.24 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -80.89 -35.06 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.6 ttp -64.14 -43.34 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.17 -29.94 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.93 -31.99 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.28 -32.43 61.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.6 -49.3 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.19 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.99 -32.31 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.35 -41.33 85.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.3 -32.26 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.9 -34.83 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.209 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -67.39 -40.32 85.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.07 -43.84 90.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.92 -46.02 74.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.95 -34.17 77.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.98 -44.65 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -80.38 -24.31 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -75.33 77.99 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.35 -36.71 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.1 -39.77 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 23.38 51.89 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -95.94 -0.61 50.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 111.315 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.87 10.35 75.88 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.32 154.94 51.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -98.22 118.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.81 171.76 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -57.43 -45.04 85.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.09 -40.24 90.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -69.46 -30.36 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HA ' HD13 ' A' ' 28' ' ' ILE . 65.2 t80 -67.58 -40.64 84.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 174.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -37.47 92.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 173.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -65.66 -38.1 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 25' ' ' PHE . 89.6 mt -55.86 -49.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 174.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.88 -41.4 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -68.75 -39.51 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.8 -30.15 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 69' ' ' GLN . 51.7 p -80.36 -20.36 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 174.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.05 40.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 172.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -84.83 129.12 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 111.18 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -80.22 79.98 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.221 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.22 149.62 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -85.32 170.09 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.61 -34.88 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.35 -36.94 77.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.35 -41.56 98.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.73 -48.07 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.27 -43.61 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.53 -50.16 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.01 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.69 -49.74 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -33.48 87.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.97 -38.72 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -77.58 -21.15 52.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.04 75.19 10.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.198 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -59.67 -44.54 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.19 -171.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -92.19 5.15 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 54.78 46.01 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 173.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -97.58 -2.06 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.83 8.64 82.33 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -137.79 147.17 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.26 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.8 mt -103.38 121.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 170.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -86.45 -173.81 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -66.61 -42.9 86.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -172.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.04 -44.82 95.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.5 -31.36 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.38 -46.48 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.5 mp -57.76 -37.57 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.09 -36.85 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.2 mmt -72.72 -31.74 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.17 -28.65 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -79.23 -41.98 27.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.228 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.82 -40.21 65.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.42 107.52 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.636 ' O ' ' HB ' ' A' ' 32' ' ' THR . 64.4 tt0 . . . . . 0 C--O 1.201 -1.468 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.85 -30.33 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.22 -35.57 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.16 -33.03 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 173.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -84.02 -14.06 51.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -65.82 -38.92 90.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 168.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.28 -42.77 92.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.91 -41.78 99.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -55.95 -43.23 77.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.81 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.51 -44.87 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -77.19 -30.44 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.266 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -77.61 70.82 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 172.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.86 -25.51 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.22 -35.55 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.96 37.48 12.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -96.83 -10.89 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.39 17.46 49.75 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -162.38 172.03 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.89 117.94 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.14 170.03 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 175.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.38 -45.09 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -35.07 77.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -70.38 -30.44 67.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -65.67 -34.99 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.32 -33.6 58.49 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.59 -33.24 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.196 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.32 -45.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -75.3 -19.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.98 -39.49 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.224 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.23 -4.88 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.21 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.0 m -76.84 -41.32 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 166.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.53 23.22 7.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.26 99.78 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -80.07 100.01 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.63 153.52 25.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.132 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.7 p -79.34 172.75 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.05 -35.67 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -81.28 -40.29 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.245 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.21 -35.17 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.96 -42.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.53 -40.88 98.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.92 -48.73 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.81 -31.58 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.01 -47.77 84.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.82 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.95 -34.72 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -77.04 -25.12 52.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -72.8 76.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.7 m -64.0 -37.84 88.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.83 -9.62 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.91 44.93 24.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -92.0 -9.16 43.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.42 -26.95 18.47 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -139.89 172.71 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.19 121.39 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.17 -175.05 5.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.56 -37.63 77.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.09 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.283 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -78.24 -30.32 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.52 -46.39 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.9 -33.84 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -73.45 -33.91 65.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.0 mmt -69.69 -29.49 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.1 mmm -75.27 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.166 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -28.92 69.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -106.12 7.09 31.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.13 133.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.12 -41.02 62.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.98 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -34.14 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -75.8 -24.07 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -64.87 -39.92 94.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.45 -45.4 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.23 -37.37 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.17 -46.19 89.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.96 -34.85 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.268 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.8 -45.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -71.45 -36.16 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.203 -173.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.94 75.05 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.263 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.07 -30.17 67.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.88 -24.32 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.03 36.2 47.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.85 -21.87 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 18.8 24.4 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -176.1 166.19 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.5 mm -90.85 117.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -80.02 170.03 17.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -64.67 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.85 -37.51 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.245 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.24 -36.5 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.224 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.08 -39.6 92.32 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.51 -38.15 88.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.58 -41.15 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.73 -30.0 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.243 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.97 -46.15 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.7 p -119.37 -16.15 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -168.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.9 1.87 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.92 -29.81 70.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.229 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.21 -2.48 55.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.244 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.1 148.7 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -91.36 175.06 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.93 -28.25 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.9 -34.62 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.02 -27.43 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.05 -55.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.85 -36.04 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.68 -51.07 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.95 -38.33 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -37.06 93.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.52 -34.63 77.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.0 m -78.32 -29.98 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -81.08 75.21 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -75.74 -16.82 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -177.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.06 -10.03 57.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.03 43.25 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.94 -8.0 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.95 31.07 27.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -172.26 156.73 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.237 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 90.8 mt -109.44 110.48 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.95 170.1 16.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.18 -39.94 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.75 -38.28 81.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.53 -18.81 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -66.42 -42.17 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.45 -30.44 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -79.1 -37.99 37.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -65.03 -44.76 88.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.245 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.39 -27.93 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -67.79 -47.17 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -82.25 -32.97 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.22 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.62 124.5 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.289 -179.565 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.0 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.05 -30.48 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -37.55 80.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 176.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.34 -34.75 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -71.88 -26.79 62.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -67.96 -42.07 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -45.79 88.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -64.97 -37.35 87.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.55 -47.33 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.5 -39.2 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.21 -45.16 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.74 -30.63 64.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -170.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.12 81.02 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.195 173.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.9 -34.89 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -174.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -68.49 -34.89 76.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 32.97 22.05 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -84.94 -14.71 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.94 20.45 16.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -172.61 164.83 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.3 mm -88.3 119.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -80.67 170.01 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -63.28 -49.57 73.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.32 -31.58 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.2 -34.95 77.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HA ' HD13 ' A' ' 28' ' ' ILE . 83.2 t80 -64.96 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 173.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.72 -39.4 54.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.18 -41.75 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 25' ' ' PHE . 90.1 mt -55.06 -39.9 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.43 -42.18 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.96 -30.56 66.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.31 -25.06 57.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -94.82 -17.29 22.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.205 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.01 34.22 24.66 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -99.94 151.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 111.206 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -100.04 70.14 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -104.28 154.34 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -88.55 170.99 10.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.86 -35.56 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.36 -38.31 90.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.51 -54.22 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.78 -40.61 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.38 -49.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.03 -40.1 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.91 -51.73 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.73 93.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.293 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -65.88 -39.92 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -72.87 114.88 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -94.83 -10.17 32.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.228 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -100.06 -13.0 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.93 47.0 10.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -111.48 -8.39 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.16 41.84 6.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -148.56 157.73 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.181 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.404 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 87.0 mt -121.26 107.75 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 171.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -76.29 178.97 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -63.61 -51.13 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.12 -39.73 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.27 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.24 -42.95 99.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.09 -44.84 87.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.33 -35.43 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.3 ttp -65.0 -47.13 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.21 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.45 -23.75 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 174.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.46 -1.65 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -89.73 123.75 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -178.431 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.01 -28.67 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.45 -32.8 54.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.8 -25.57 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -73.61 -28.34 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.83 -40.17 65.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.35 -43.78 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.16 -44.4 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.38 -31.41 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.48 -45.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.75 -26.83 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -171.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -78.19 70.92 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -69.92 -23.9 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.246 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.8 -28.41 55.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.94 34.98 51.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -86.73 -15.03 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.13 13.62 55.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -166.76 169.29 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.255 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -99.93 117.67 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -92.5 -174.3 3.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -46.2 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -169.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.42 -46.66 82.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.254 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.77 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.219 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' HA ' HD13 ' A' ' 28' ' ' ILE . 66.9 t80 -70.16 -38.15 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.68 -39.67 76.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.26 -37.34 85.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 0.0 111.229 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 25' ' ' PHE . 88.3 mt -59.41 -41.67 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.38 -41.09 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.96 -41.95 99.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 176.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -81.86 -19.95 39.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.8 m -69.31 -40.16 77.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.14 26.85 4.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.3 140.3 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -99.87 70.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.1 mt -90.86 151.04 21.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.5 p -81.27 174.92 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 173.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.88 -35.03 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.27 -39.85 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.0 -37.13 83.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.01 -43.07 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.01 -32.3 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.49 -49.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -74.21 -30.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.208 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -55.19 -50.55 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 171.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.87 -33.22 85.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.223 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -75.41 -31.14 60.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -77.6 79.55 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -61.98 -39.46 92.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.93 -7.12 58.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.62 44.99 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -88.06 -8.26 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.65 26.47 32.37 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -172.72 154.56 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.2 -173.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -107.9 111.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.26 -175.01 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -62.73 -46.57 87.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.39 -44.64 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.07 -29.8 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.55 -44.37 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.62 -36.19 80.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -70.17 -39.31 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -68.82 -42.79 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mmm -65.32 -21.74 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -82.05 -24.4 35.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.3 -45.98 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.237 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.676 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.77 -30.02 70.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.69 -42.43 97.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.7 -31.39 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.96 -23.65 58.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -40.01 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.263 170.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.89 -41.43 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.3 m -60.55 -40.37 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.43 -47.01 70.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 176.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.54 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -68.93 -47.45 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.16 -31.36 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -171.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.04 75.95 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.67 -37.47 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.37 -36.0 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.87 31.52 20.58 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.24 -29.57 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.35 -6.11 71.4 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.85 143.08 48.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.4 115.72 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -95.07 -172.39 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -64.77 -34.78 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.54 -44.81 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.262 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -73.15 -35.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -61.21 -43.66 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.23 -40.36 97.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.16 -39.82 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.88 -40.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.21 -44.63 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.62 -30.48 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.94 -31.5 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -86.12 -17.43 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.92 34.88 46.57 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -92.91 144.7 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.221 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.87 99.97 10.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD22 ' O ' ' A' ' 69' ' ' GLN . 72.8 mt -121.81 145.05 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -176.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.3 p -84.9 173.85 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 174.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.91 -29.52 69.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.26 -39.25 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.3 -44.86 88.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 m -71.09 -25.78 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -77.85 -35.08 51.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.77 -44.19 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.29 -49.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.94 -44.48 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.8 -44.18 95.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -65.11 -37.7 88.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.218 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 m -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -73.44 79.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -81.12 -25.6 36.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.59 -15.16 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.03 47.68 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -122.5 3.86 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.98 6.22 85.27 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.04 129.61 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 98.6 mt -88.11 112.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -85.42 -172.3 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.95 -53.52 56.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.39 -37.94 89.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -70.08 -30.57 67.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.02 -40.48 95.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.57 -37.51 75.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -70.71 -40.8 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -59.87 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.4 mmm -62.56 -30.32 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.244 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.73 -38.02 88.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -110.01 13.73 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 -175.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.67 -23.0 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.183 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' O ' HD22 ' A' ' 36' ' ' LEU . 64.4 tt0 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.12 -31.12 71.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.95 -44.77 96.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.29 -32.92 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.96 -21.32 59.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -65.12 -40.83 95.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 170.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.81 -43.35 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.1 m -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.5 -46.2 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.81 -35.68 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.9 -42.48 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -76.38 -25.38 54.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -73.79 72.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 169.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.26 -27.44 59.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -71.37 -36.64 71.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.81 39.25 8.21 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.15 -10.35 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.13 -5.53 68.41 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.75 163.83 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.22 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.6 mm -88.89 122.25 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -81.03 170.17 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -62.69 -45.79 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.5 -33.45 74.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.42 -30.2 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.99 -35.44 81.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.21 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.28 -41.57 47.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.3 -33.22 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.202 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.6 mt -75.26 -54.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.77 -20.02 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -74.38 -14.2 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.4 -36.45 78.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -124.49 -13.15 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 175.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.11 41.03 2.34 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -69.96 -12.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.17 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.26 3.63 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -92.58 155.16 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -84.83 166.44 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.35 -30.01 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 172.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.66 -40.6 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 174.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.91 -44.97 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -37.9 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.11 -44.57 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.22 -40.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.83 -50.14 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.14 -34.54 89.95 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.16 -37.59 81.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 111.191 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -79.28 -20.01 49.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.97 74.87 9.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.267 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.1 -7.24 58.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.34 45.84 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.81 -11.97 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.14 3.37 79.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -139.95 156.61 46.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.225 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -107.63 122.31 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 172.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.37 -174.95 5.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -68.16 -39.58 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.71 -44.94 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.32 -31.75 58.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.186 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.95 -45.96 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -34.64 78.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.92 -32.29 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.2 mmt -76.44 -31.63 57.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 176.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -87.74 -7.27 57.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.55 -40.24 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.03 5.97 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -177.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -108.38 -60.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.464 ' OXT' ' HG3' ' A' ' 69' ' ' GLN . 70.3 tp60 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.333 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.76 -30.28 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -37.03 86.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -81.44 -27.69 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.37 -32.51 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.65 -29.14 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.26 -43.44 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.42 -36.07 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.43 -47.95 81.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.03 -49.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.206 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.87 -32.7 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -84.88 73.91 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.34 -30.13 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -173.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.51 -25.7 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.42 36.85 37.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.52 -23.83 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.36 18.97 26.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -175.4 167.34 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.4 mm -102.6 119.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.205 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -95.11 -176.12 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.86 -22.38 58.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 -171.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.12 -40.28 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.9 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.95 -42.0 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.95 -40.25 72.16 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -36.88 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.99 -45.77 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.0 pt -80.02 -19.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -65.09 -34.91 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.25 -25.2 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -93.89 -17.48 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.87 25.94 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -105.76 115.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 111.237 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -91.56 100.08 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -108.54 149.74 28.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.5 p -85.04 170.61 12.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.06 -36.65 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.14 -40.56 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.37 -46.39 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.48 -42.88 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.98 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.07 -43.53 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.03 -45.0 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -71.04 -39.76 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.38 87.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.62 -35.08 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.157 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -107.02 20.17 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -81.12 104.94 11.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -74.61 -49.0 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -112.51 23.04 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 -169.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 55.9 41.76 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -124.18 11.24 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.77 46.19 84.47 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -144.45 160.75 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.182 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.83 119.36 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -83.69 -178.35 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -65.21 -40.95 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -57.21 -37.85 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -89.82 -22.28 22.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.63 -34.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.22 -26.58 60.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -82.9 -37.29 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.2 ttm -53.3 -45.9 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.6 mmm -67.98 -19.46 64.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.179 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.28 -30.03 68.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -87.15 -30.04 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 124.09 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.217 -179.848 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.2 -31.31 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.04 -35.39 80.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.261 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -76.85 -33.81 57.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.206 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.51 -24.86 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -64.07 -41.32 97.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.35 -44.77 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.31 -40.27 95.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -36.1 82.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.99 -41.49 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -79.64 -26.96 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.54 77.34 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.16 -35.78 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.291 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.86 39.46 24.38 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.29 -10.69 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.23 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.56 15.41 53.08 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -162.77 168.01 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.0 mm -94.25 120.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.26 170.19 16.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -64.08 -44.33 92.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -37.43 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.255 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.14 -35.49 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -65.25 -40.18 93.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.25 65.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.35 -42.03 84.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.71 -44.94 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -55.18 -43.96 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.67 -40.57 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.53 -22.72 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -91.45 -10.06 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.93 28.15 47.14 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 47.6 tp10 -94.49 131.26 40.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.188 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -91.33 89.79 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.231 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 92.2 mt -120.29 154.34 35.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 174.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -82.93 171.93 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -35.05 68.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.98 -43.03 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.97 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.21 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -43.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.2 -34.84 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.52 -46.73 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 -37.23 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.276 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.91 -32.74 85.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.67 -38.75 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.211 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.2 p -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -77.44 75.7 3.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.7 m -64.2 -39.31 93.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.35 -10.13 59.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.37 44.31 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.188 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -106.79 -1.32 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.287 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.6 23.18 58.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -151.4 159.96 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.214 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 93.8 mt -111.85 118.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.84 170.8 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.234 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.05 -45.97 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.79 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.37 -26.39 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.52 -45.23 91.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -34.32 72.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.45 -40.62 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -64.84 -40.98 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.13 -23.09 65.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 174.585 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.84 -47.38 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -33.98 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -64.97 -34.96 79.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 177.747 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -63.05 -42.3 99.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.27 -44.07 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.37 -36.82 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -61.24 -46.25 91.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.84 -35.27 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.82 -46.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.22 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -72.84 -29.68 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.02 86.99 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.64 -31.32 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -169.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.93 -26.85 17.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -174.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.19 38.3 9.24 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.84 -19.96 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.258 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.09 8.91 57.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -159.37 167.73 28.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.148 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -99.41 119.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.42 171.0 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.42 -35.78 78.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.21 -37.56 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.7 -40.66 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.09 79.87 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.89 -42.88 89.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.221 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.1 mt -54.21 -40.04 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.0 -38.94 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -78.08 -25.04 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.84 -27.19 55.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -92.26 -15.09 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.25 23.81 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -100.24 149.32 23.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.0 95.87 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.91 152.62 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.56 171.42 11.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.228 170.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -35.46 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.69 -39.37 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.68 -46.46 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.3 t -64.81 -48.93 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.231 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.87 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.27 -49.93 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.11 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.68 -50.14 68.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.45 93.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.65 -35.54 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.241 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 m -72.69 -31.97 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.84 80.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -76.67 -25.05 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.252 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.79 -9.93 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.18 44.84 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -98.09 -1.62 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.9 31.09 27.24 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -172.5 156.25 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -171.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.0 mt -100.45 115.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 174.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.01 173.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.197 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.81 -49.53 77.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.29 -39.84 95.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.71 -31.75 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.55 -44.19 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.76 -42.02 83.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.4 -37.2 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.16 -45.86 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.23 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.96 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.22 -30.38 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.248 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.69 -35.14 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.01 -34.26 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.95 -25.2 61.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -61.42 -38.91 88.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -72.49 -40.31 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.22 -40.43 93.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.64 -46.5 88.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.84 -35.16 79.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.34 -46.17 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -74.98 -28.72 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -77.4 85.91 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.38 -26.63 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.267 -169.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.62 -28.07 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 35.78 10.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.67 -24.67 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 12.11 41.34 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.0 168.37 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.5 mm -99.79 121.53 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.243 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.19 170.14 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.13 -44.97 90.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.54 -36.35 78.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.02 -35.87 81.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.43 -39.12 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.32 -40.97 69.95 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.0 -43.15 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.99 -44.89 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.3 mm -58.95 -40.93 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -68.19 -35.8 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.67 -29.71 64.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -86.11 -6.88 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 27.8 61.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -92.51 134.81 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.4 93.34 8.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -123.1 154.97 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.6 p -84.48 172.46 11.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.67 -36.51 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -75.15 -40.19 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.05 -40.18 94.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.59 -46.78 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.4 -33.09 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 -49.93 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.214 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.03 -49.22 72.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.5 -33.35 81.28 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.89 -34.94 74.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.2 p -80.77 -16.21 54.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -76.24 76.55 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -65.8 -40.87 92.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.211 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.24 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.85 44.88 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -104.56 0.48 28.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.88 -2.88 66.93 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -136.13 174.76 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.147 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 99.5 mt -108.06 117.16 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.219 170.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.1 173.08 12.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -63.29 -49.08 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.38 90.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.08 -34.75 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.3 -44.04 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.54 -37.05 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.43 -25.96 33.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -69.85 -46.11 66.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.29 -22.3 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 174.213 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.09 -26.45 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.94 -38.47 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.88 -33.39 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -71.16 -25.57 62.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 176.635 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -66.45 -41.94 88.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.66 -45.7 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.8 m -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.69 -51.54 69.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.49 -36.37 76.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -69.94 -43.9 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.266 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -74.53 -21.11 59.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -72.08 78.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.188 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.93 -41.74 97.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -67.42 -32.36 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.55 35.37 32.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -95.12 -9.86 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.06 20.4 33.36 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -169.78 165.77 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.73 124.96 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -98.35 179.91 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 171.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -65.71 -39.68 91.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 -173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.24 -34.89 79.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.29 -37.89 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.81 -31.85 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.04 -20.35 57.85 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -94.38 -34.32 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.58 -39.88 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 pt -64.51 -19.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -97.38 -27.71 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.22 -27.83 63.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -92.2 -20.78 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.45 23.62 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -101.8 136.91 40.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 111.225 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -80.02 79.99 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.72 140.7 44.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -85.03 172.31 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -58.55 -36.0 73.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.211 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.75 -38.43 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.25 -39.8 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.71 -49.56 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.68 -35.27 76.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.07 -50.61 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.05 -43.54 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.65 -47.15 85.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.61 -36.3 91.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.64 -38.69 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.204 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -70.79 -31.74 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.11 75.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -72.76 -26.48 61.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.46 -13.06 57.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 55.12 44.55 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -102.7 -4.01 25.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.89 2.44 78.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.57 152.71 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 0.0 111.237 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.17 117.06 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.258 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.54 174.92 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.234 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.0 -46.75 83.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.06 -29.82 60.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.53 -34.62 75.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.6 mp -56.22 -33.89 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.58 -37.32 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.5 ttm -53.23 -45.7 68.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -77.36 -22.58 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 172.513 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -31.14 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.279 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -34.91 79.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.57 -29.29 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.24 -24.32 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -64.64 -37.02 86.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 171.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.01 -42.33 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -60.63 -41.67 95.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -53.21 -47.21 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.69 -32.98 74.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.86 -40.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -78.8 -27.81 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.165 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -76.67 80.36 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.1 -40.04 95.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.02 29.23 29.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -93.98 -8.68 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.55 6.0 59.91 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.18 148.33 49.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.784 0.326 . . . . 0.0 111.191 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.38 119.46 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.2 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -88.22 -175.06 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -173.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -41.11 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.258 -176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -76.73 -29.98 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.32 -34.41 75.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.29 -36.75 37.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.65 -33.64 76.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.94 -44.94 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.259 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 33' ' ' GLY . 49.7 mm -87.65 -29.92 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.06 -34.66 44.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.28 -34.75 74.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.4 p -124.66 13.06 8.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -104.62 39.13 2.94 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.39 -32.39 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 111.188 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -100.28 7.33 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.205 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.87 148.91 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.32 172.7 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.8 -35.18 77.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.4 -38.58 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.71 -43.26 90.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.14 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.1 -36.48 84.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.32 -39.75 85.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.01 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.54 -49.24 77.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.34 -37.16 93.6 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.22 -38.82 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.9 p -77.01 -21.34 54.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -79.18 75.14 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.4 p -75.84 -25.03 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -80.16 -12.42 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 55.0 46.53 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -121.1 2.13 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.16 10.38 85.56 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -135.85 141.27 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.221 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.12 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -93.55 -173.82 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -62.26 -40.61 96.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.227 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.31 -48.56 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.01 -35.11 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.79 -49.06 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.51 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.88 -37.32 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.8 tpt -65.34 -42.81 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.94 -21.59 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -173.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 175.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.01 -40.23 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.51 -34.99 77.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.41 -34.74 41.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.35 -17.82 60.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -60.29 -37.83 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -75.51 -39.56 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.3 m -60.44 -41.3 93.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.42 -45.54 76.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.98 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.7 -45.08 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.98 -26.01 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.06 74.72 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.88 -45.79 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.68 -14.8 58.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -173.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.03 42.84 50.69 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -84.86 -16.92 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.09 5.7 60.65 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -155.23 165.11 37.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.3 mm -102.18 124.43 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -94.82 -175.98 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.38 -40.11 95.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.51 -46.76 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.43 -26.83 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.49 -38.95 85.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.91 -36.82 43.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.41 -34.84 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.206 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.08 -50.73 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLY . 10.0 tp -68.47 -22.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -54.64 -30.04 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.08 -28.25 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.1 p -125.16 16.16 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -95.96 19.6 53.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.59 -33.91 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 111.175 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -109.18 -1.45 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.56 148.13 22.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.93 172.46 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.19 -35.16 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.77 -40.32 79.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.3 -41.75 85.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.36 -48.1 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.83 -37.48 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.04 -43.26 92.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.05 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.15 -48.79 77.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.84 92.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.81 -40.18 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.217 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -69.88 -38.29 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.21 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -73.28 75.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.217 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.35 -10.03 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.75 44.86 25.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.91 -10.07 22.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.82 13.46 72.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.8 142.42 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.12 123.24 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 174.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -89.42 -178.72 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.5 -37.95 74.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.29 -43.4 83.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.54 -34.91 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.06 -44.61 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.24 -41.45 84.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.08 -37.74 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.7 mtt -64.89 -45.32 86.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -75.69 -21.9 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 170.263 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.13 -29.94 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.24 -41.8 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.44 -33.6 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.97 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.241 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -39.79 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.09 -48.45 76.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.4 m -64.94 -38.34 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.63 -50.83 71.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.03 -35.86 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.71 -43.94 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -71.6 -30.31 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -76.5 76.53 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.8 -35.0 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.79 19.37 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -90.36 -11.66 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.181 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.95 22.68 14.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -174.38 165.7 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 111.171 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -92.8 118.52 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -79.87 170.87 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -62.95 -44.96 94.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.25 -38.96 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -37.32 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 74.8 t80 -66.0 -38.95 89.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.99 -41.27 84.41 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -68.44 -33.27 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.249 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PHE . 94.4 mt -61.13 -47.56 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.9 mt -70.16 -35.5 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.04 -30.33 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.33 -57.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -121.42 -8.7 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.24 -169.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.95 1.87 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.7 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.28 -24.49 60.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -90.93 155.66 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -97.01 175.37 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.86 -27.97 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.83 -31.84 61.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.31 -26.45 68.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.6 t -55.41 -55.27 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.28 -38.78 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.86 -45.99 72.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.47 -37.65 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -53.97 -49.27 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.81 -35.03 91.43 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.03 -34.21 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -78.87 -29.74 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -76.32 82.16 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.236 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 p -76.75 -25.1 53.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -82.42 -10.14 59.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.95 42.92 30.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.11 -0.65 43.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.06 33.09 27.39 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -171.82 157.06 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 111.223 -171.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -104.76 114.74 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.17 175.19 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.28 -49.36 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.16 -40.26 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.28 -31.12 68.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -64.57 -42.15 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.207 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -40.08 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.61 -27.65 34.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.77 -42.46 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.84 -13.74 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 -175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 172.09 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.35 -30.95 70.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.15 -48.05 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.52 -27.94 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -71.89 -27.33 62.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -75.68 -39.99 56.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.19 -43.66 92.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -55.29 -44.51 75.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -34.37 78.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -66.02 -44.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -81.82 -43.18 18.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -84.98 74.12 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.63 -25.65 49.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.99 -28.4 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.64 37.84 15.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -69.78 -34.66 74.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.209 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.95 7.95 59.45 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -162.57 165.36 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.9 mm -104.49 125.31 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.31 170.09 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -66.62 -46.94 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.95 -33.62 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.71 -45.16 75.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.83 -37.89 77.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.07 -31.2 61.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.28 -35.58 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 111.119 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.18 -47.33 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -61.34 -28.43 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.186 -175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 35' ' ' GLN . 88.6 mtm180 -77.21 -22.24 52.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.47 -16.21 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.1 p -86.99 -20.25 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.69 30.48 3.25 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -134.71 95.45 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.186 172.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 65.0 tt0 -70.28 117.19 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -111.43 152.51 27.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -78.02 173.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.61 -35.35 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.44 -42.05 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -35.79 82.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.53 -46.3 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.9 -38.73 79.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.72 -47.06 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.41 -35.38 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.27 -48.84 73.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.16 -33.45 86.99 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.84 -39.99 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 111.241 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 -34.85 73.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.0 76.53 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.6 p -75.56 -25.07 56.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.87 -13.9 59.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 55.01 43.11 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -102.85 1.19 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.71 -9.95 58.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -137.35 160.65 38.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -92.2 119.97 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.6 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.68 -51.82 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.5 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.58 -45.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -43.26 83.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.226 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.48 -37.5 82.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.243 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -64.59 -43.43 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.1 mmm -60.92 -35.06 75.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 176.683 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -34.62 73.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -174.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.98 -37.83 88.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.1 -34.56 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.04 -23.26 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -65.45 -40.46 93.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.99 -44.15 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.39 -40.07 96.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.84 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.46 -35.67 78.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.92 -45.17 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -73.01 -31.18 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -76.22 81.81 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.36 -37.46 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.83 -39.81 95.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.08 24.51 54.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -95.94 -0.74 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.194 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.61 11.82 70.56 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 98.7 m-85 -134.65 154.15 51.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 111.193 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.8 mm -96.65 122.98 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -84.84 169.92 13.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -63.32 -42.97 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.67 -37.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -65.5 -37.01 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.51 -40.08 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.07 -40.22 73.03 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.24 -41.55 81.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.236 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.51 -39.93 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.23 -42.59 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.95 -24.95 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -93.78 -15.79 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.57 20.05 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -102.49 150.04 23.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.95 99.98 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.02 171.09 12.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.38 -34.8 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.51 -36.29 76.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.39 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -55.97 -54.77 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.77 -43.27 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.58 -50.12 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.236 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.31 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.04 -48.26 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.07 -34.24 89.27 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.9 -34.48 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -79.72 -26.38 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -76.58 76.83 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.95 -15.57 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.09 42.06 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -105.77 3.11 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.28 -3.03 66.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 89.3 mmt-85 -137.56 154.59 49.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -100.16 121.19 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -78.16 174.31 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.3 -45.73 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.9 -40.37 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -63.75 -42.8 97.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.9 -39.46 85.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.81 -35.98 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.1 ttp -62.65 -44.26 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.3 mmm -76.1 -27.26 57.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.177 171.657 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -36.14 83.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.72 -37.07 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.74 -39.86 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.243 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 -22.92 57.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -64.98 -42.56 94.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.61 -42.36 86.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.1 m -65.01 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.19 -47.15 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.08 -44.94 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -45.31 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.11 -34.35 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -77.14 77.73 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.58 -31.47 68.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -171.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.14 -20.28 38.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.32 41.21 38.53 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.55 -19.26 42.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.33 10.75 56.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -164.97 169.16 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 111.197 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.5 mm -102.06 121.87 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -96.41 -178.32 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.282 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.84 -44.9 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.79 -37.51 76.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' HD12 ' A' ' 28' ' ' ILE . 72.0 t80 -65.02 -36.74 85.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.45 -42.07 64.65 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -70.3 -42.41 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.206 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.0 mt -55.03 -39.75 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 36' ' ' LEU . 90.6 mt -55.21 -45.98 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.99 -29.88 63.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.85 -28.89 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -88.03 -15.42 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.05 30.58 25.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -100.89 159.04 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -109.97 79.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 29' ' ' ILE . 94.3 mt -115.07 151.6 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 p -102.95 176.52 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.54 -31.68 71.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.14 -30.05 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -79.75 -31.51 40.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.11 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.28 -41.74 93.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.38 -52.08 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.39 -43.38 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -55.83 -49.73 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.06 -41.1 97.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.62 -35.02 74.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.3 m -78.92 -28.76 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.03 81.62 2.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -76.35 -26.43 55.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.5 -10.75 59.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.269 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.15 42.08 30.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.26 -4.16 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.259 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.44 34.5 16.55 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -172.23 155.63 3.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 43.9 mm -96.79 112.92 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.278 173.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -73.1 174.3 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.84 -47.25 81.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.82 -39.31 93.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.55 -30.39 68.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.43 -42.51 87.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.16 -42.7 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.176 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.05 -36.42 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.6 ttp -64.98 -43.88 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.89 -30.67 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.189 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 174.377 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.319 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.52 -28.69 70.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -56.65 -45.36 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.42 -32.87 48.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.59 -31.46 71.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -68.38 -25.46 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -77.86 -40.52 39.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.18 -42.78 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -55.09 -46.61 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.07 -27.74 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -174.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.48 69.86 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.229 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -72.0 -27.17 62.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.03 -20.61 41.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 41.28 49.36 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.11 -19.34 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.8 15.64 48.45 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -163.57 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.1 mm -100.09 120.82 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -84.13 174.14 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -62.25 -40.32 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.93 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -76.99 -25.2 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 80.2 t80 -68.66 -34.56 75.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.04 -39.31 68.84 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -67.99 -35.96 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 95.1 mt -61.42 -50.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.49 -16.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -74.85 -40.59 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.9 mt -90.91 -19.45 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -172.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -93.01 -3.04 55.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.26 45.16 20.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 173.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.57 108.61 17.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.271 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -88.91 99.85 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -113.51 152.67 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.1 p -83.77 173.29 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.54 -37.55 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.73 -42.53 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.6 -37.41 86.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.16 -45.8 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.187 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.65 -39.62 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -49.75 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.47 -39.52 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -56.69 -47.29 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.51 -29.57 72.98 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.36 -38.38 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.5 p -77.56 -20.2 54.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.65 75.09 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.247 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -61.29 -40.92 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -75.91 -12.01 60.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.226 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 55.21 45.51 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -101.42 2.67 39.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.46 -7.95 61.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -138.95 169.1 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -99.31 117.48 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -76.51 172.48 12.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.252 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.68 -54.17 50.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.49 -36.04 82.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.35 -35.94 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 65' ' ' MET . 80.0 t80 -63.4 -44.38 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 174.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.19 -44.17 92.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -41.33 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.2 ttp -62.09 -47.77 83.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 61' ' ' PHE . 98.3 mmm -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 174.858 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.65 -31.79 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.1 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.69 -35.15 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.18 -24.28 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -57.91 -38.65 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.219 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.33 -41.19 49.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.32 -40.74 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -55.12 -46.89 75.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.7 -34.73 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.3 -43.83 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -80.35 -26.52 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.11 74.3 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -74.38 -22.31 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -170.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -89.89 -19.9 24.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.97 40.46 35.31 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.98 -18.81 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.17 14.34 54.51 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -165.77 165.47 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.219 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -102.81 116.83 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -91.93 -174.98 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -61.15 -45.13 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -170.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.7 -39.62 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.23 -30.15 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.44 -36.01 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.87 -37.34 61.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -68.94 -35.09 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.66 -48.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -71.38 -34.42 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -54.45 -42.52 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.232 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -57.87 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -106.28 -17.04 14.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 -165.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.95 55.03 1.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -26.78 68.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.42 -4.54 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.64 153.3 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.2 p -93.2 175.01 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.41 -31.79 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.44 -28.02 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.16 -53.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.91 -37.21 75.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.42 -47.42 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.93 -37.29 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.93 -50.59 68.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.22 92.81 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.47 -35.91 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -82.06 -18.97 41.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -79.3 74.89 5.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.6 m -64.91 -38.4 90.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.16 -9.94 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.61 45.01 25.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.01 -9.67 33.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.03 14.05 70.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -154.95 159.58 40.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.221 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.8 mm -108.3 116.62 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.49 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.13 -40.35 95.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.8 -39.26 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.31 -27.21 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.35 -44.89 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.82 -37.24 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -80.89 -35.06 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.6 ttp -64.14 -43.34 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.17 -29.94 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 175.383 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.99 -32.31 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.35 -41.33 85.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.3 -32.26 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.9 -34.83 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.209 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -67.39 -40.32 85.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.07 -43.84 90.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.92 -46.02 74.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.95 -34.17 77.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.98 -44.65 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -80.38 -24.31 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -75.33 77.99 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.35 -36.71 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.1 -39.77 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 23.38 51.89 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -95.94 -0.61 50.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 111.315 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.87 10.35 75.88 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.32 154.94 51.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -98.22 118.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.81 171.76 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -57.43 -45.04 85.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.09 -40.24 90.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -69.46 -30.36 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.2 t80 -67.58 -40.64 84.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 174.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -37.47 92.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 173.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -65.66 -38.1 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 25' ' ' PHE . 89.6 mt -55.86 -49.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 174.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.88 -41.4 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -68.75 -39.51 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.8 -30.15 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.7 p -80.36 -20.36 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.05 40.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 172.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 3.9 tp10 -84.83 129.12 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 111.18 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -80.22 79.98 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.221 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 93.9 mt -116.22 149.62 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -85.32 170.09 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.61 -34.88 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.35 -36.94 77.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.35 -41.56 98.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.73 -48.07 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.27 -43.61 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.53 -50.16 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.01 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.69 -49.74 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -33.48 87.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.97 -38.72 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -77.58 -21.15 52.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.04 75.19 10.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.198 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -59.67 -44.54 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.19 -171.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -92.19 5.15 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 54.78 46.01 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 173.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -97.58 -2.06 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.83 8.64 82.33 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -137.79 147.17 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.26 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.8 mt -103.38 121.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 170.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -86.45 -173.81 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -66.61 -42.9 86.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -172.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.04 -44.82 95.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.5 -31.36 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.38 -46.48 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.5 mp -57.76 -37.57 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.09 -36.85 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.2 mmt -72.72 -31.74 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.17 -28.65 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.228 175.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.85 -30.33 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.22 -35.57 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.16 -33.03 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 173.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -84.02 -14.06 51.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -65.82 -38.92 90.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 168.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.28 -42.77 92.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.91 -41.78 99.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -55.95 -43.23 77.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.81 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.51 -44.87 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -77.19 -30.44 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.266 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -77.61 70.82 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 172.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.86 -25.51 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.22 -35.55 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.96 37.48 12.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 95.9 m-20 -96.83 -10.89 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -172.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.39 17.46 49.75 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 42.0 p90 -162.38 172.03 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 177.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.89 117.94 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.14 170.03 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 175.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.38 -45.09 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -35.07 77.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -70.38 -30.44 67.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -65.67 -34.99 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.32 -33.6 58.49 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.59 -33.24 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.196 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.32 -45.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -75.3 -19.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.98 -39.49 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.224 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.23 -4.88 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.21 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.0 m -76.84 -41.32 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 166.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.53 23.22 7.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.26 99.78 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -80.07 100.01 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.63 153.52 25.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.132 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.7 p -79.34 172.75 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.05 -35.67 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -81.28 -40.29 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.245 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.21 -35.17 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.96 -42.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.53 -40.88 98.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.92 -48.73 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.81 -31.58 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.01 -47.77 84.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.82 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.95 -34.72 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -77.04 -25.12 52.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -72.8 76.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.7 m -64.0 -37.84 88.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.83 -9.62 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.91 44.93 24.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -92.0 -9.16 43.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.42 -26.95 18.47 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -139.89 172.71 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.19 121.39 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.17 -175.05 5.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.56 -37.63 77.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.09 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.283 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -78.24 -30.32 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.52 -46.39 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.9 -33.84 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -73.45 -33.91 65.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.0 mmt -69.69 -29.49 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.1 mmm -75.27 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.166 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -178.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.12 -41.02 62.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.98 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -34.14 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -75.8 -24.07 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -64.87 -39.92 94.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.45 -45.4 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.23 -37.37 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.17 -46.19 89.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.96 -34.85 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.268 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.8 -45.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -71.45 -36.16 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.203 -173.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.94 75.05 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.263 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.07 -30.17 67.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.88 -24.32 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.03 36.2 47.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.85 -21.87 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 18.8 24.4 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -176.1 166.19 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.5 mm -90.85 117.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -80.02 170.03 17.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -64.67 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.85 -37.51 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.245 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.24 -36.5 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.224 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.08 -39.6 92.32 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.51 -38.15 88.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.58 -41.15 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.73 -30.0 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.243 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.97 -46.15 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.7 p -119.37 -16.15 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -168.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.9 1.87 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.92 -29.81 70.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.229 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.21 -2.48 55.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.244 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.1 148.7 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -91.36 175.06 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.93 -28.25 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.9 -34.62 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.02 -27.43 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.05 -55.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.85 -36.04 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.68 -51.07 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.95 -38.33 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -37.06 93.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.52 -34.63 77.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.0 m -78.32 -29.98 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -81.08 75.21 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -75.74 -16.82 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -177.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.06 -10.03 57.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.03 43.25 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.94 -8.0 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.95 31.07 27.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -172.26 156.73 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.237 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 90.8 mt -109.44 110.48 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.95 170.1 16.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.18 -39.94 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.75 -38.28 81.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.53 -18.81 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -66.42 -42.17 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.45 -30.44 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -79.1 -37.99 37.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -65.03 -44.76 88.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.245 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.39 -27.93 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 176.346 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.0 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.05 -30.48 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -37.55 80.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 176.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.34 -34.75 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -71.88 -26.79 62.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -67.96 -42.07 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -45.79 88.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -64.97 -37.35 87.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.55 -47.33 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.5 -39.2 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.21 -45.16 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.74 -30.63 64.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -170.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.12 81.02 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.195 173.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.9 -34.89 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -174.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -68.49 -34.89 76.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 32.97 22.05 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -84.94 -14.71 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.94 20.45 16.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -172.61 164.83 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.3 mm -88.3 119.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -80.67 170.01 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -63.28 -49.57 73.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.32 -31.58 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.2 -34.95 77.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 83.2 t80 -64.96 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 173.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.72 -39.4 54.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.18 -41.75 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 90.1 mt -55.06 -39.9 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 36' ' ' LEU . 97.5 mt -57.43 -42.18 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.96 -30.56 66.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.31 -25.06 57.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -94.82 -17.29 22.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.205 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.01 34.22 24.66 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -99.94 151.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 111.206 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -100.04 70.14 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 29' ' ' ILE . 90.6 mt -104.28 154.34 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -88.55 170.99 10.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.86 -35.56 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.36 -38.31 90.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.51 -54.22 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.78 -40.61 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.38 -49.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.03 -40.1 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.91 -51.73 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.73 93.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.293 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -65.88 -39.92 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -72.87 114.88 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -94.83 -10.17 32.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.228 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -100.06 -13.0 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.93 47.0 10.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -111.48 -8.39 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.16 41.84 6.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -148.56 157.73 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.181 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 87.0 mt -121.26 107.75 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 171.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -76.29 178.97 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -63.61 -51.13 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.12 -39.73 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.27 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.24 -42.95 99.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.09 -44.84 87.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.33 -35.43 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.3 ttp -65.0 -47.13 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.21 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 174.224 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.01 -28.67 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.45 -32.8 54.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.8 -25.57 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -73.61 -28.34 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.83 -40.17 65.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.35 -43.78 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.16 -44.4 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.38 -31.41 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.48 -45.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.75 -26.83 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -171.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -78.19 70.92 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -69.92 -23.9 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.246 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.8 -28.41 55.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.94 34.98 51.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -86.73 -15.03 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.13 13.62 55.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -166.76 169.29 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.255 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -99.93 117.67 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -92.5 -174.3 3.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -46.2 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -169.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.42 -46.66 82.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.254 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.77 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.219 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' ILE . 66.9 t80 -70.16 -38.15 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.68 -39.67 76.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.26 -37.34 85.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 0.0 111.229 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.3 mt -59.41 -41.67 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.38 -41.09 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.96 -41.95 99.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 176.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -81.86 -19.95 39.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.8 m -69.31 -40.16 77.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.14 26.85 4.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.3 140.3 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -99.87 70.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.1 mt -90.86 151.04 21.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.5 p -81.27 174.92 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 173.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.88 -35.03 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.27 -39.85 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.0 -37.13 83.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.01 -43.07 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.01 -32.3 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.49 -49.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -74.21 -30.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.208 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -55.19 -50.55 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 171.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.87 -33.22 85.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.223 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -75.41 -31.14 60.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -77.6 79.55 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -61.98 -39.46 92.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.93 -7.12 58.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.62 44.99 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -88.06 -8.26 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.65 26.47 32.37 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -172.72 154.56 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.2 -173.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -107.9 111.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.26 -175.01 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -62.73 -46.57 87.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.39 -44.64 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.07 -29.8 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.55 -44.37 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.62 -36.19 80.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -70.17 -39.31 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -68.82 -42.79 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mmm -65.32 -21.74 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 173.699 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.77 -30.02 70.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.69 -42.43 97.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.7 -31.39 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.96 -23.65 58.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -40.01 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.263 170.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.89 -41.43 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.3 m -60.55 -40.37 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.43 -47.01 70.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 176.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.54 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -68.93 -47.45 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.16 -31.36 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -171.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.04 75.95 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.67 -37.47 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.37 -36.0 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.87 31.52 20.58 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.24 -29.57 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.35 -6.11 71.4 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.85 143.08 48.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.4 115.72 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -95.07 -172.39 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -64.77 -34.78 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.54 -44.81 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.262 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -73.15 -35.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -61.21 -43.66 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.23 -40.36 97.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.16 -39.82 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.88 -40.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.21 -44.63 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.62 -30.48 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.94 -31.5 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -86.12 -17.43 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.92 34.88 46.57 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -92.91 144.7 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.221 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.87 99.97 10.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.8 mt -121.81 145.05 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.3 p -84.9 173.85 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 174.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.91 -29.52 69.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.26 -39.25 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.3 -44.86 88.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 m -71.09 -25.78 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -77.85 -35.08 51.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.77 -44.19 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.29 -49.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.94 -44.48 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.8 -44.18 95.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -65.11 -37.7 88.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.218 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 m -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -73.44 79.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -81.12 -25.6 36.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.59 -15.16 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.03 47.68 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -122.5 3.86 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.98 6.22 85.27 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.04 129.61 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 98.6 mt -88.11 112.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -85.42 -172.3 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.95 -53.52 56.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.39 -37.94 89.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -70.08 -30.57 67.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.02 -40.48 95.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.57 -37.51 75.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -70.71 -40.8 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -59.87 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.4 mmm -62.56 -30.32 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.244 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.166 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.12 -31.12 71.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.95 -44.77 96.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.29 -32.92 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.96 -21.32 59.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -65.12 -40.83 95.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 170.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.81 -43.35 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.1 m -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.5 -46.2 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.81 -35.68 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.9 -42.48 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -76.38 -25.38 54.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -73.79 72.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 169.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.26 -27.44 59.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -71.37 -36.64 71.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.81 39.25 8.21 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.15 -10.35 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.13 -5.53 68.41 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.75 163.83 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.22 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.6 mm -88.89 122.25 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -81.03 170.17 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -62.69 -45.79 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.5 -33.45 74.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.42 -30.2 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.99 -35.44 81.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.21 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.28 -41.57 47.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.3 -33.22 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.202 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.6 mt -75.26 -54.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.77 -20.02 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -74.38 -14.2 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.4 -36.45 78.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -124.49 -13.15 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 175.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.11 41.03 2.34 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -69.96 -12.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.17 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.26 3.63 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -92.58 155.16 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -84.83 166.44 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.35 -30.01 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 172.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.66 -40.6 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 174.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.91 -44.97 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -37.9 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.11 -44.57 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.22 -40.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.83 -50.14 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.14 -34.54 89.95 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.16 -37.59 81.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 111.191 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -79.28 -20.01 49.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.97 74.87 9.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.267 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.1 -7.24 58.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.34 45.84 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.81 -11.97 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.14 3.37 79.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -139.95 156.61 46.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.225 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 91.2 mt -107.63 122.31 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.37 -174.95 5.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -68.16 -39.58 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.71 -44.94 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.32 -31.75 58.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.186 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.95 -45.96 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -34.64 78.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.92 -32.29 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.2 mmt -76.44 -31.63 57.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 176.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -87.74 -7.27 57.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.194 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.333 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 98.0 mt-10 -63.76 -30.28 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -37.03 86.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -81.44 -27.69 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.37 -32.51 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.65 -29.14 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.26 -43.44 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.42 -36.07 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.43 -47.95 81.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.03 -49.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.206 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.87 -32.7 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -84.88 73.91 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.34 -30.13 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -173.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.51 -25.7 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.42 36.85 37.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.52 -23.83 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.36 18.97 26.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -175.4 167.34 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.4 mm -102.6 119.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.205 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -95.11 -176.12 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.86 -22.38 58.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 -171.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.12 -40.28 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.9 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' HA ' HD12 ' A' ' 28' ' ' ILE . 87.2 t80 -59.95 -42.0 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.95 -40.25 72.16 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -36.88 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 25' ' ' PHE . 92.8 mt -60.99 -45.77 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.0 pt -80.02 -19.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -65.09 -34.91 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.25 -25.2 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -93.89 -17.48 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.87 25.94 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -105.76 115.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 111.237 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -91.56 100.08 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -108.54 149.74 28.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.5 p -85.04 170.61 12.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.06 -36.65 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.14 -40.56 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.37 -46.39 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.48 -42.88 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.98 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.07 -43.53 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.03 -45.0 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -71.04 -39.76 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.38 87.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.62 -35.08 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.157 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -107.02 20.17 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -81.12 104.94 11.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -74.61 -49.0 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -112.51 23.04 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 -169.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 55.9 41.76 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -124.18 11.24 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.77 46.19 84.47 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -144.45 160.75 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.182 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.83 119.36 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -83.69 -178.35 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -65.21 -40.95 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -57.21 -37.85 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -89.82 -22.28 22.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.63 -34.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.22 -26.58 60.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -82.9 -37.29 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.2 ttm -53.3 -45.9 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.6 mmm -67.98 -19.46 64.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.179 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 173.55 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.2 -31.31 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.04 -35.39 80.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.261 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -76.85 -33.81 57.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.206 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.51 -24.86 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -64.07 -41.32 97.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.35 -44.77 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.31 -40.27 95.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -36.1 82.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.99 -41.49 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -79.64 -26.96 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.54 77.34 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.16 -35.78 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.291 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.86 39.46 24.38 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.29 -10.69 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.23 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.56 15.41 53.08 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -162.77 168.01 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.0 mm -94.25 120.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.26 170.19 16.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -64.08 -44.33 92.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -37.43 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.255 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.14 -35.49 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -65.25 -40.18 93.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.25 65.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.35 -42.03 84.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.71 -44.94 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -55.18 -43.96 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.67 -40.57 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.53 -22.72 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -91.45 -10.06 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.93 28.15 47.14 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 47.6 tp10 -94.49 131.26 40.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.188 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -91.33 89.79 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.231 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 92.2 mt -120.29 154.34 35.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 174.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -82.93 171.93 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -35.05 68.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.98 -43.03 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.97 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.21 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -43.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.2 -34.84 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.52 -46.73 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 -37.23 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.276 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.91 -32.74 85.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.67 -38.75 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.211 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.2 p -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -77.44 75.7 3.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.7 m -64.2 -39.31 93.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.35 -10.13 59.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.37 44.31 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.188 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -106.79 -1.32 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.287 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.6 23.18 58.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -151.4 159.96 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.214 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 93.8 mt -111.85 118.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.84 170.8 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.234 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.05 -45.97 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.79 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.37 -26.39 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.52 -45.23 91.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -34.32 72.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.45 -40.62 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -64.84 -40.98 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.13 -23.09 65.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -84.24 -31.5 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -84.21 -21.62 31.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.3 t -114.5 117.8 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.449 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.84 -47.38 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -33.98 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -64.97 -34.96 79.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 177.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -63.05 -42.3 99.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.27 -44.07 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.37 -36.82 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -61.24 -46.25 91.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.84 -35.27 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.82 -46.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.22 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -72.84 -29.68 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.02 86.99 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.64 -31.32 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -169.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.93 -26.85 17.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -174.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.19 38.3 9.24 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.84 -19.96 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.258 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.09 8.91 57.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -159.37 167.73 28.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.148 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -99.41 119.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.42 171.0 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.42 -35.78 78.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.21 -37.56 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.7 -40.66 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.09 79.87 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.89 -42.88 89.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.221 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.1 mt -54.21 -40.04 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.0 -38.94 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -78.08 -25.04 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.84 -27.19 55.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -92.26 -15.09 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.25 23.81 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -100.24 149.32 23.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.0 95.87 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.91 152.62 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.56 171.42 11.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.228 170.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -35.46 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.69 -39.37 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.68 -46.46 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.3 t -64.81 -48.93 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.231 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.87 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.27 -49.93 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.11 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.68 -50.14 68.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.45 93.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.65 -35.54 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.241 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 m -72.69 -31.97 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.84 80.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -76.67 -25.05 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.252 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.79 -9.93 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.18 44.84 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -98.09 -1.62 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.9 31.09 27.24 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -172.5 156.25 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -171.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.0 mt -100.45 115.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 174.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.01 173.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.197 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.81 -49.53 77.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.29 -39.84 95.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.71 -31.75 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.55 -44.19 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.76 -42.02 83.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.4 -37.2 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.16 -45.86 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.23 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.96 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -77.46 -35.61 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -85.52 -20.45 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.03 108.38 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.228 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.22 -30.38 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.248 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.69 -35.14 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.01 -34.26 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.95 -25.2 61.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -61.42 -38.91 88.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -72.49 -40.31 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.22 -40.43 93.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.64 -46.5 88.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.84 -35.16 79.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.34 -46.17 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -74.98 -28.72 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -77.4 85.91 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.38 -26.63 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.267 -169.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.62 -28.07 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 35.78 10.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.67 -24.67 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 12.11 41.34 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.0 168.37 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.5 mm -99.79 121.53 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.243 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.19 170.14 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.13 -44.97 90.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.54 -36.35 78.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.02 -35.87 81.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.43 -39.12 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.32 -40.97 69.95 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.0 -43.15 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.99 -44.89 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.3 mm -58.95 -40.93 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -68.19 -35.8 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.67 -29.71 64.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -86.11 -6.88 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 27.8 61.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -92.51 134.81 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.4 93.34 8.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -123.1 154.97 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.6 p -84.48 172.46 11.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.67 -36.51 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -75.15 -40.19 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.05 -40.18 94.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.59 -46.78 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.4 -33.09 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 -49.93 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.214 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.03 -49.22 72.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.5 -33.35 81.28 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.89 -34.94 74.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.2 p -80.77 -16.21 54.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -76.24 76.55 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -65.8 -40.87 92.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.211 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.24 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.85 44.88 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -104.56 0.48 28.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.88 -2.88 66.93 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -136.13 174.76 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.147 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 99.5 mt -108.06 117.16 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.219 170.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.1 173.08 12.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -63.29 -49.08 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.38 90.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.08 -34.75 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.3 -44.04 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.54 -37.05 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.43 -25.96 33.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -69.85 -46.11 66.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.29 -22.3 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.69 -24.77 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.69 7.22 45.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.209 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -107.12 119.25 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.702 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.09 -26.45 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.94 -38.47 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.88 -33.39 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -71.16 -25.57 62.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 176.635 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -66.45 -41.94 88.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.66 -45.7 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.8 m -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.69 -51.54 69.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.49 -36.37 76.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -69.94 -43.9 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.266 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -74.53 -21.11 59.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -72.08 78.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.188 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.93 -41.74 97.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -67.42 -32.36 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.55 35.37 32.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -95.12 -9.86 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.06 20.4 33.36 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -169.78 165.77 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.73 124.96 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -98.35 179.91 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 171.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -65.71 -39.68 91.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 -173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.24 -34.89 79.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.29 -37.89 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.81 -31.85 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.04 -20.35 57.85 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -94.38 -34.32 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.58 -39.88 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 pt -64.51 -19.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -97.38 -27.71 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.22 -27.83 63.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -92.2 -20.78 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.45 23.62 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -101.8 136.91 40.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 111.225 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -80.02 79.99 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.72 140.7 44.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -85.03 172.31 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -58.55 -36.0 73.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.211 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.75 -38.43 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.25 -39.8 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.71 -49.56 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.68 -35.27 76.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.07 -50.61 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.05 -43.54 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.65 -47.15 85.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.61 -36.3 91.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.64 -38.69 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.204 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -70.79 -31.74 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.11 75.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -72.76 -26.48 61.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.46 -13.06 57.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 55.12 44.55 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -102.7 -4.01 25.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.89 2.44 78.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.57 152.71 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 0.0 111.237 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.17 117.06 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.258 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.54 174.92 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.234 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.0 -46.75 83.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.06 -29.82 60.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.53 -34.62 75.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.6 mp -56.22 -33.89 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.58 -37.32 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.5 ttm -53.23 -45.7 68.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -77.36 -22.58 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.03 -40.32 94.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -89.04 -23.17 22.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.5 t -124.59 79.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -177.523 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -31.14 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.279 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -34.91 79.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.57 -29.29 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.24 -24.32 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -64.64 -37.02 86.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 171.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.01 -42.33 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -60.63 -41.67 95.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -53.21 -47.21 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.69 -32.98 74.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.86 -40.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -78.8 -27.81 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.165 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -76.67 80.36 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.1 -40.04 95.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.02 29.23 29.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -93.98 -8.68 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.55 6.0 59.91 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.18 148.33 49.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.784 0.326 . . . . 0.0 111.191 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.38 119.46 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.2 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -88.22 -175.06 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -173.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -41.11 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.258 -176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -76.73 -29.98 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.32 -34.41 75.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.29 -36.75 37.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.65 -33.64 76.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.94 -44.94 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.259 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 33' ' ' GLY . 49.7 mm -87.65 -29.92 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.06 -34.66 44.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.28 -34.75 74.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.4 p -124.66 13.06 8.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -104.62 39.13 2.94 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.39 -32.39 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 111.188 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -100.28 7.33 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.205 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.87 148.91 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.32 172.7 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.8 -35.18 77.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.4 -38.58 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.71 -43.26 90.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.14 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.1 -36.48 84.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.32 -39.75 85.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.01 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.54 -49.24 77.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.34 -37.16 93.6 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.22 -38.82 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.9 p -77.01 -21.34 54.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -79.18 75.14 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.4 p -75.84 -25.03 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -80.16 -12.42 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 55.0 46.53 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -121.1 2.13 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.16 10.38 85.56 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -135.85 141.27 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.221 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.12 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -93.55 -173.82 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -62.26 -40.61 96.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.227 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.31 -48.56 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.01 -35.11 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.79 -49.06 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.51 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.88 -37.32 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.8 tpt -65.34 -42.81 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.94 -21.59 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -173.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.26 -27.87 69.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.58 5.4 47.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.2 t -100.84 123.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.126 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.01 -40.23 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.51 -34.99 77.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.41 -34.74 41.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.35 -17.82 60.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -60.29 -37.83 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -75.51 -39.56 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.3 m -60.44 -41.3 93.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.42 -45.54 76.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.98 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.7 -45.08 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.98 -26.01 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.06 74.72 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.88 -45.79 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.68 -14.8 58.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -173.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.03 42.84 50.69 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -84.86 -16.92 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.09 5.7 60.65 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -155.23 165.11 37.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.3 mm -102.18 124.43 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -94.82 -175.98 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.38 -40.11 95.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.51 -46.76 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.43 -26.83 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.49 -38.95 85.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.91 -36.82 43.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.41 -34.84 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.206 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.08 -50.73 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLY . 10.0 tp -68.47 -22.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -54.64 -30.04 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.08 -28.25 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.1 p -125.16 16.16 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -95.96 19.6 53.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.59 -33.91 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 111.175 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -109.18 -1.45 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.56 148.13 22.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.93 172.46 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.19 -35.16 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.77 -40.32 79.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.3 -41.75 85.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.36 -48.1 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.83 -37.48 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.04 -43.26 92.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.05 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.15 -48.79 77.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.84 92.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.81 -40.18 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.217 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -69.88 -38.29 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.21 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -73.28 75.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.217 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.35 -10.03 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.75 44.86 25.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.91 -10.07 22.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.82 13.46 72.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.8 142.42 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.12 123.24 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 174.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -89.42 -178.72 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.5 -37.95 74.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.29 -43.4 83.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.54 -34.91 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.06 -44.61 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.24 -41.45 84.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.08 -37.74 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.7 mtt -64.89 -45.32 86.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -75.69 -21.9 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.25 -41.07 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.13 -45.54 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.238 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.13 -29.94 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.24 -41.8 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.44 -33.6 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.97 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.241 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -39.79 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.09 -48.45 76.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.4 m -64.94 -38.34 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.63 -50.83 71.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.03 -35.86 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.71 -43.94 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -71.6 -30.31 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -76.5 76.53 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.8 -35.0 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.79 19.37 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -90.36 -11.66 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.181 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.95 22.68 14.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -174.38 165.7 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 111.171 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -92.8 118.52 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -79.87 170.87 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -62.95 -44.96 94.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.25 -38.96 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -37.32 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 74.8 t80 -66.0 -38.95 89.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.99 -41.27 84.41 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -68.44 -33.27 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.249 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PHE . 94.4 mt -61.13 -47.56 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.9 mt -70.16 -35.5 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.04 -30.33 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.33 -57.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -121.42 -8.7 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.24 -169.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.95 1.87 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.7 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.28 -24.49 60.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -90.93 155.66 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -97.01 175.37 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.86 -27.97 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.83 -31.84 61.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.31 -26.45 68.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.6 t -55.41 -55.27 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.28 -38.78 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.86 -45.99 72.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.47 -37.65 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -53.97 -49.27 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.81 -35.03 91.43 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.03 -34.21 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -78.87 -29.74 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -76.32 82.16 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.236 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 p -76.75 -25.1 53.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -82.42 -10.14 59.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.95 42.92 30.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.11 -0.65 43.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.06 33.09 27.39 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -171.82 157.06 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 111.223 -171.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -104.76 114.74 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.17 175.19 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.28 -49.36 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.16 -40.26 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.28 -31.12 68.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -64.57 -42.15 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.207 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -40.08 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.61 -27.65 34.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.77 -42.46 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.84 -13.74 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 -175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.61 -32.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.87 -23.02 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.2 t -114.77 122.48 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 178.29 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.35 -30.95 70.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.15 -48.05 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.52 -27.94 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -71.89 -27.33 62.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -75.68 -39.99 56.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.19 -43.66 92.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -55.29 -44.51 75.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -34.37 78.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -66.02 -44.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -81.82 -43.18 18.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -84.98 74.12 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.63 -25.65 49.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.99 -28.4 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.64 37.84 15.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -69.78 -34.66 74.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.209 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.95 7.95 59.45 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -162.57 165.36 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.9 mm -104.49 125.31 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.31 170.09 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -66.62 -46.94 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.95 -33.62 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.71 -45.16 75.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.83 -37.89 77.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.07 -31.2 61.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.28 -35.58 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 111.119 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.18 -47.33 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -61.34 -28.43 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.186 -175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 35' ' ' GLN . 88.6 mtm180 -77.21 -22.24 52.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.47 -16.21 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.1 p -86.99 -20.25 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.69 30.48 3.25 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -134.71 95.45 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.186 172.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 65.0 tt0 -70.28 117.19 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -111.43 152.51 27.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -78.02 173.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.61 -35.35 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.44 -42.05 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -35.79 82.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.53 -46.3 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.9 -38.73 79.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.72 -47.06 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.41 -35.38 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.27 -48.84 73.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.16 -33.45 86.99 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.84 -39.99 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 111.241 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 -34.85 73.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.0 76.53 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.6 p -75.56 -25.07 56.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.87 -13.9 59.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 55.01 43.11 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -102.85 1.19 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.71 -9.95 58.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -137.35 160.65 38.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -92.2 119.97 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.6 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.68 -51.82 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.5 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.58 -45.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -43.26 83.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.226 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.48 -37.5 82.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.243 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -64.59 -43.43 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.1 mmm -60.92 -35.06 75.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.45 -23.79 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -97.39 7.64 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.243 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.5 124.88 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -34.62 73.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -174.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.98 -37.83 88.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.1 -34.56 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.04 -23.26 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -65.45 -40.46 93.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.99 -44.15 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.39 -40.07 96.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.84 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.46 -35.67 78.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.92 -45.17 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -73.01 -31.18 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -76.22 81.81 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.36 -37.46 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.83 -39.81 95.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.08 24.51 54.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -95.94 -0.74 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.194 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.61 11.82 70.56 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 98.7 m-85 -134.65 154.15 51.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 111.193 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.8 mm -96.65 122.98 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -84.84 169.92 13.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -63.32 -42.97 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.67 -37.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -65.5 -37.01 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.51 -40.08 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.07 -40.22 73.03 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.24 -41.55 81.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.236 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.51 -39.93 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.23 -42.59 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.95 -24.95 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -93.78 -15.79 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.57 20.05 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -102.49 150.04 23.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.95 99.98 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.02 171.09 12.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.38 -34.8 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.51 -36.29 76.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.39 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -55.97 -54.77 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.77 -43.27 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.58 -50.12 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.236 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.31 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.04 -48.26 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.07 -34.24 89.27 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.9 -34.48 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -79.72 -26.38 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -76.58 76.83 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.95 -15.57 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.09 42.06 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -105.77 3.11 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.28 -3.03 66.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 89.3 mmt-85 -137.56 154.59 49.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -100.16 121.19 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -78.16 174.31 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.3 -45.73 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.9 -40.37 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -63.75 -42.8 97.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.9 -39.46 85.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.81 -35.98 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.1 ttp -62.65 -44.26 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.3 mmm -76.1 -27.26 57.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.11 -40.23 92.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.177 171.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -107.95 34.93 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.11 139.71 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -36.14 83.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.72 -37.07 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.74 -39.86 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.243 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 -22.92 57.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -64.98 -42.56 94.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.61 -42.36 86.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.1 m -65.01 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.19 -47.15 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.08 -44.94 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -45.31 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.11 -34.35 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -77.14 77.73 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.58 -31.47 68.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -171.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.14 -20.28 38.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.32 41.21 38.53 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.55 -19.26 42.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.33 10.75 56.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -164.97 169.16 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 111.197 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.5 mm -102.06 121.87 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -96.41 -178.32 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.282 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.84 -44.9 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.79 -37.51 76.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' HD12 ' A' ' 28' ' ' ILE . 72.0 t80 -65.02 -36.74 85.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.45 -42.07 64.65 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -70.3 -42.41 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.206 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.0 mt -55.03 -39.75 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 36' ' ' LEU . 90.6 mt -55.21 -45.98 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.99 -29.88 63.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.85 -28.89 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -88.03 -15.42 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.05 30.58 25.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -100.89 159.04 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -109.97 79.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 29' ' ' ILE . 94.3 mt -115.07 151.6 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 p -102.95 176.52 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.54 -31.68 71.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.14 -30.05 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -79.75 -31.51 40.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.11 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.28 -41.74 93.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.38 -52.08 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.39 -43.38 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -55.83 -49.73 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.06 -41.1 97.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.62 -35.02 74.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.3 m -78.92 -28.76 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.03 81.62 2.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -76.35 -26.43 55.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.5 -10.75 59.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.269 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.15 42.08 30.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.26 -4.16 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.259 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.44 34.5 16.55 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -172.23 155.63 3.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 43.9 mm -96.79 112.92 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.278 173.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -73.1 174.3 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.84 -47.25 81.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.82 -39.31 93.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.55 -30.39 68.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.43 -42.51 87.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.16 -42.7 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.176 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.05 -36.42 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.6 ttp -64.98 -43.88 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.89 -30.67 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.189 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.58 -40.04 93.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -109.96 33.58 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' GLN . 7.6 p -64.92 141.13 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' A' ' 68' ' ' VAL . 66.3 tp60 . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.319 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.52 -28.69 70.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -56.65 -45.36 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.42 -32.87 48.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.59 -31.46 71.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -68.38 -25.46 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -77.86 -40.52 39.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.18 -42.78 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -55.09 -46.61 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.07 -27.74 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -174.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.48 69.86 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.229 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -72.0 -27.17 62.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.03 -20.61 41.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 41.28 49.36 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.11 -19.34 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.8 15.64 48.45 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -163.57 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.1 mm -100.09 120.82 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -84.13 174.14 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -62.25 -40.32 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.93 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -76.99 -25.2 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 80.2 t80 -68.66 -34.56 75.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.04 -39.31 68.84 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -67.99 -35.96 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 95.1 mt -61.42 -50.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.49 -16.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -74.85 -40.59 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.9 mt -90.91 -19.45 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -172.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -93.01 -3.04 55.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.26 45.16 20.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 173.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.57 108.61 17.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.271 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -88.91 99.85 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -113.51 152.67 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.1 p -83.77 173.29 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.54 -37.55 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.73 -42.53 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.6 -37.41 86.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.16 -45.8 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.187 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.65 -39.62 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -49.75 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.47 -39.52 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -56.69 -47.29 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.51 -29.57 72.98 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.36 -38.38 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.5 p -77.56 -20.2 54.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.65 75.09 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.247 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -61.29 -40.92 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -75.91 -12.01 60.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.226 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 55.21 45.51 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -101.42 2.67 39.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.46 -7.95 61.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -138.95 169.1 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -99.31 117.48 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -76.51 172.48 12.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.252 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.68 -54.17 50.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.49 -36.04 82.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.35 -35.94 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 65' ' ' MET . 80.0 t80 -63.4 -44.38 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 174.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.19 -44.17 92.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -41.33 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.2 ttp -62.09 -47.77 83.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 61' ' ' PHE . 98.3 mmm -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.74 -39.29 84.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -106.52 31.98 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.06 140.41 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.586 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.65 -31.79 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.1 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.69 -35.15 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.18 -24.28 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -57.91 -38.65 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.219 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.33 -41.19 49.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.32 -40.74 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -55.12 -46.89 75.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.7 -34.73 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.3 -43.83 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -80.35 -26.52 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.11 74.3 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -74.38 -22.31 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -170.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -89.89 -19.9 24.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.97 40.46 35.31 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.98 -18.81 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.17 14.34 54.51 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -165.77 165.47 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.219 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -102.81 116.83 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -91.93 -174.98 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -61.15 -45.13 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -170.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.7 -39.62 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.23 -30.15 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.44 -36.01 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.87 -37.34 61.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -68.94 -35.09 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.66 -48.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -71.38 -34.42 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -54.45 -42.52 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.232 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -57.87 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -106.28 -17.04 14.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 -165.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.95 55.03 1.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -26.78 68.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.42 -4.54 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.64 153.3 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.2 p -93.2 175.01 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.41 -31.79 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.44 -28.02 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.16 -53.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.91 -37.21 75.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.42 -47.42 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.93 -37.29 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.93 -50.59 68.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.22 92.81 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.47 -35.91 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -82.06 -18.97 41.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -79.3 74.89 5.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.6 m -64.91 -38.4 90.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.16 -9.94 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.61 45.01 25.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.01 -9.67 33.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.03 14.05 70.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -154.95 159.58 40.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.221 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.8 mm -108.3 116.62 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.49 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.13 -40.35 95.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.8 -39.26 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.31 -27.21 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.35 -44.89 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.82 -37.24 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -80.89 -35.06 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.6 ttp -64.14 -43.34 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.17 -29.94 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.93 -31.99 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.28 -32.43 61.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.6 -49.3 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.19 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.99 -32.31 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.35 -41.33 85.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.3 -32.26 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.9 -34.83 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.209 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -67.39 -40.32 85.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.07 -43.84 90.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.92 -46.02 74.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.95 -34.17 77.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.98 -44.65 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -80.38 -24.31 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -75.33 77.99 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.35 -36.71 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.1 -39.77 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 23.38 51.89 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -95.94 -0.61 50.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 111.315 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.87 10.35 75.88 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.32 154.94 51.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -98.22 118.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.81 171.76 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -57.43 -45.04 85.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.09 -40.24 90.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -69.46 -30.36 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.2 t80 -67.58 -40.64 84.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 174.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -37.47 92.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 173.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -65.66 -38.1 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 25' ' ' PHE . 89.6 mt -55.86 -49.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 174.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.88 -41.4 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -68.75 -39.51 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.8 -30.15 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 69' ' ' GLN . 51.7 p -80.36 -20.36 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 174.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.05 40.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 172.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 3.9 tp10 -84.83 129.12 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 111.18 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -80.22 79.98 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.221 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 93.9 mt -116.22 149.62 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -85.32 170.09 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.61 -34.88 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.35 -36.94 77.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.35 -41.56 98.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.73 -48.07 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.27 -43.61 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.53 -50.16 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.01 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.69 -49.74 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -33.48 87.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.97 -38.72 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -77.58 -21.15 52.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.04 75.19 10.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.198 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -59.67 -44.54 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.19 -171.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -92.19 5.15 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 54.78 46.01 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 173.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -97.58 -2.06 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.83 8.64 82.33 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -137.79 147.17 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.26 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.8 mt -103.38 121.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 170.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -86.45 -173.81 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -66.61 -42.9 86.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -172.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.04 -44.82 95.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.5 -31.36 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.38 -46.48 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.5 mp -57.76 -37.57 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.09 -36.85 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.2 mmt -72.72 -31.74 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.17 -28.65 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -79.23 -41.98 27.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.228 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.82 -40.21 65.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.42 107.52 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.635 ' O ' ' HB ' ' A' ' 32' ' ' THR . 64.4 tt0 . . . . . 0 C--O 1.201 -1.468 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.85 -30.33 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.22 -35.57 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.16 -33.03 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 173.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -84.02 -14.06 51.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -65.82 -38.92 90.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 168.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.28 -42.77 92.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.91 -41.78 99.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -55.95 -43.23 77.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.81 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.51 -44.87 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -77.19 -30.44 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.266 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -77.61 70.82 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 172.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.86 -25.51 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.22 -35.55 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.96 37.48 12.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 95.9 m-20 -96.83 -10.89 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -172.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.39 17.46 49.75 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 42.0 p90 -162.38 172.03 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 177.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.89 117.94 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.14 170.03 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 175.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.38 -45.09 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -35.07 77.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -70.38 -30.44 67.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -65.67 -34.99 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.32 -33.6 58.49 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.59 -33.24 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.196 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.32 -45.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -75.3 -19.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.98 -39.49 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.224 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.23 -4.88 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.21 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.0 m -76.84 -41.32 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 166.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.53 23.22 7.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.26 99.78 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -80.07 100.01 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.63 153.52 25.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.132 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.7 p -79.34 172.75 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.05 -35.67 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -81.28 -40.29 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.245 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.21 -35.17 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.96 -42.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.53 -40.88 98.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.92 -48.73 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.81 -31.58 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.01 -47.77 84.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.82 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.95 -34.72 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -77.04 -25.12 52.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -72.8 76.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.7 m -64.0 -37.84 88.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.83 -9.62 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.91 44.93 24.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -92.0 -9.16 43.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.42 -26.95 18.47 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -139.89 172.71 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.19 121.39 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.17 -175.05 5.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.56 -37.63 77.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.09 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.283 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -78.24 -30.32 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.52 -46.39 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.9 -33.84 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -73.45 -33.91 65.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.0 mmt -69.69 -29.49 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.1 mmm -75.27 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.166 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -28.92 69.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -106.12 7.09 31.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.13 133.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.12 -41.02 62.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.98 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -34.14 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -75.8 -24.07 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -64.87 -39.92 94.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.45 -45.4 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.23 -37.37 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.17 -46.19 89.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.96 -34.85 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.268 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.8 -45.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -71.45 -36.16 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.203 -173.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.94 75.05 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.263 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.07 -30.17 67.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.88 -24.32 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.03 36.2 47.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.85 -21.87 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 18.8 24.4 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -176.1 166.19 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.5 mm -90.85 117.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -80.02 170.03 17.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -64.67 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.85 -37.51 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.245 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.24 -36.5 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.224 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.08 -39.6 92.32 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.51 -38.15 88.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.58 -41.15 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.73 -30.0 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.243 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.97 -46.15 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.7 p -119.37 -16.15 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -168.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.9 1.87 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.92 -29.81 70.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.229 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.21 -2.48 55.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.244 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.1 148.7 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -91.36 175.06 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.93 -28.25 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.9 -34.62 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.02 -27.43 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.05 -55.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.85 -36.04 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.68 -51.07 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.95 -38.33 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -37.06 93.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.52 -34.63 77.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.0 m -78.32 -29.98 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -81.08 75.21 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -75.74 -16.82 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -177.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.06 -10.03 57.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.03 43.25 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.94 -8.0 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.95 31.07 27.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -172.26 156.73 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.237 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 90.8 mt -109.44 110.48 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.95 170.1 16.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.18 -39.94 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.75 -38.28 81.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.53 -18.81 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -66.42 -42.17 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.45 -30.44 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -79.1 -37.99 37.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -65.03 -44.76 88.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.245 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.39 -27.93 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -67.79 -47.17 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -82.25 -32.97 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.22 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.62 124.5 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.289 -179.565 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.0 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.05 -30.48 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -37.55 80.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 176.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.34 -34.75 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -71.88 -26.79 62.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -67.96 -42.07 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -45.79 88.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -64.97 -37.35 87.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.55 -47.33 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.5 -39.2 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.21 -45.16 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.74 -30.63 64.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -170.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.12 81.02 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.195 173.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.9 -34.89 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -174.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -68.49 -34.89 76.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 32.97 22.05 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -84.94 -14.71 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.94 20.45 16.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -172.61 164.83 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.3 mm -88.3 119.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -80.67 170.01 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -63.28 -49.57 73.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.32 -31.58 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.2 -34.95 77.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 83.2 t80 -64.96 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 173.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.72 -39.4 54.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.18 -41.75 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 90.1 mt -55.06 -39.9 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 36' ' ' LEU . 97.5 mt -57.43 -42.18 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.96 -30.56 66.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.31 -25.06 57.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -94.82 -17.29 22.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.205 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.01 34.22 24.66 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -99.94 151.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 111.206 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -100.04 70.14 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 29' ' ' ILE . 90.6 mt -104.28 154.34 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -88.55 170.99 10.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.86 -35.56 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.36 -38.31 90.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.51 -54.22 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.78 -40.61 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.38 -49.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.03 -40.1 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.91 -51.73 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.73 93.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.293 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -65.88 -39.92 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -72.87 114.88 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -94.83 -10.17 32.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.228 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -100.06 -13.0 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.93 47.0 10.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -111.48 -8.39 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.16 41.84 6.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -148.56 157.73 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.181 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 87.0 mt -121.26 107.75 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 171.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -76.29 178.97 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -63.61 -51.13 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.12 -39.73 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.27 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.24 -42.95 99.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.09 -44.84 87.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.33 -35.43 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.3 ttp -65.0 -47.13 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.21 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.45 -23.75 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 174.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.46 -1.65 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -89.73 123.75 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -178.431 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.01 -28.67 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.45 -32.8 54.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.8 -25.57 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -73.61 -28.34 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.83 -40.17 65.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.35 -43.78 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.16 -44.4 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.38 -31.41 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.48 -45.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.75 -26.83 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -171.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -78.19 70.92 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -69.92 -23.9 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.246 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.8 -28.41 55.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.94 34.98 51.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -86.73 -15.03 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.13 13.62 55.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -166.76 169.29 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.255 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -99.93 117.67 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -92.5 -174.3 3.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -46.2 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -169.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.42 -46.66 82.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.254 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.77 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.219 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' ILE . 66.9 t80 -70.16 -38.15 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.68 -39.67 76.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.26 -37.34 85.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 0.0 111.229 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.3 mt -59.41 -41.67 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.38 -41.09 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.96 -41.95 99.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 176.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -81.86 -19.95 39.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.8 m -69.31 -40.16 77.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.14 26.85 4.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.3 140.3 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -99.87 70.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.1 mt -90.86 151.04 21.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.5 p -81.27 174.92 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 173.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.88 -35.03 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.27 -39.85 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.0 -37.13 83.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.01 -43.07 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.01 -32.3 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.49 -49.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -74.21 -30.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.208 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -55.19 -50.55 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 171.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.87 -33.22 85.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.223 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -75.41 -31.14 60.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -77.6 79.55 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -61.98 -39.46 92.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.93 -7.12 58.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.62 44.99 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -88.06 -8.26 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.65 26.47 32.37 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -172.72 154.56 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.2 -173.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -107.9 111.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.26 -175.01 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -62.73 -46.57 87.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.39 -44.64 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.07 -29.8 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.55 -44.37 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.62 -36.19 80.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -70.17 -39.31 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -68.82 -42.79 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mmm -65.32 -21.74 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -82.05 -24.4 35.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.3 -45.98 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.237 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.676 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.77 -30.02 70.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.69 -42.43 97.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.7 -31.39 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.96 -23.65 58.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -40.01 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.263 170.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.89 -41.43 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.3 m -60.55 -40.37 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.43 -47.01 70.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 176.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.54 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -68.93 -47.45 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.16 -31.36 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -171.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.04 75.95 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.67 -37.47 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.37 -36.0 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.87 31.52 20.58 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.24 -29.57 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.35 -6.11 71.4 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.85 143.08 48.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.4 115.72 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -95.07 -172.39 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -64.77 -34.78 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.54 -44.81 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.262 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -73.15 -35.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -61.21 -43.66 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.23 -40.36 97.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.16 -39.82 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.88 -40.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.21 -44.63 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.62 -30.48 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.94 -31.5 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -86.12 -17.43 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.92 34.88 46.57 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -92.91 144.7 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.221 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.87 99.97 10.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 69' ' ' GLN . 72.8 mt -121.81 145.05 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -176.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.3 p -84.9 173.85 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 174.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.91 -29.52 69.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.26 -39.25 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.3 -44.86 88.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 m -71.09 -25.78 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -77.85 -35.08 51.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.77 -44.19 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.29 -49.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.94 -44.48 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.8 -44.18 95.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -65.11 -37.7 88.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.218 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 m -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -73.44 79.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -81.12 -25.6 36.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.59 -15.16 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.03 47.68 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -122.5 3.86 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.98 6.22 85.27 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.04 129.61 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 98.6 mt -88.11 112.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -85.42 -172.3 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.95 -53.52 56.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.39 -37.94 89.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -70.08 -30.57 67.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.02 -40.48 95.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.57 -37.51 75.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -70.71 -40.8 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -59.87 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.4 mmm -62.56 -30.32 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.244 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.73 -38.02 88.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -110.01 13.73 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 -175.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.67 -23.0 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.183 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' O ' HD21 ' A' ' 36' ' ' LEU . 64.4 tt0 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.12 -31.12 71.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.95 -44.77 96.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.29 -32.92 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.96 -21.32 59.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -65.12 -40.83 95.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 170.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.81 -43.35 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.1 m -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.5 -46.2 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.81 -35.68 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.9 -42.48 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -76.38 -25.38 54.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -73.79 72.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 169.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.26 -27.44 59.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -71.37 -36.64 71.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.81 39.25 8.21 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.15 -10.35 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.13 -5.53 68.41 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.75 163.83 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.22 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.6 mm -88.89 122.25 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -81.03 170.17 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -62.69 -45.79 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.5 -33.45 74.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.42 -30.2 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.99 -35.44 81.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.21 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.28 -41.57 47.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.3 -33.22 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.202 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.6 mt -75.26 -54.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.77 -20.02 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -74.38 -14.2 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.4 -36.45 78.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -124.49 -13.15 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 175.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.11 41.03 2.34 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -69.96 -12.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.17 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.26 3.63 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -92.58 155.16 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -84.83 166.44 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.35 -30.01 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 172.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.66 -40.6 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 174.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.91 -44.97 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -37.9 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.11 -44.57 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.22 -40.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.83 -50.14 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.14 -34.54 89.95 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.16 -37.59 81.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 111.191 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -79.28 -20.01 49.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.97 74.87 9.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.267 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.1 -7.24 58.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.34 45.84 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.81 -11.97 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.14 3.37 79.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -139.95 156.61 46.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.225 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 91.2 mt -107.63 122.31 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.37 -174.95 5.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -68.16 -39.58 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.71 -44.94 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.32 -31.75 58.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.186 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.95 -45.96 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -34.64 78.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.92 -32.29 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.2 mmt -76.44 -31.63 57.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 176.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -87.74 -7.27 57.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.55 -40.24 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.03 5.97 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -177.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -108.38 -60.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.247 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.333 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 98.0 mt-10 -63.76 -30.28 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -37.03 86.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -81.44 -27.69 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.37 -32.51 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.65 -29.14 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.26 -43.44 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.42 -36.07 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.43 -47.95 81.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.03 -49.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.206 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.87 -32.7 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -84.88 73.91 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.34 -30.13 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -173.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.51 -25.7 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.42 36.85 37.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.52 -23.83 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.36 18.97 26.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -175.4 167.34 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.4 mm -102.6 119.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.205 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -95.11 -176.12 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.86 -22.38 58.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 -171.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.12 -40.28 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.9 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' HA ' HD12 ' A' ' 28' ' ' ILE . 87.2 t80 -59.95 -42.0 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.95 -40.25 72.16 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -36.88 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 25' ' ' PHE . 92.8 mt -60.99 -45.77 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.0 pt -80.02 -19.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -65.09 -34.91 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.25 -25.2 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -93.89 -17.48 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.87 25.94 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -105.76 115.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 111.237 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -91.56 100.08 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -108.54 149.74 28.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.5 p -85.04 170.61 12.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.06 -36.65 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.14 -40.56 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.37 -46.39 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.48 -42.88 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.98 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.07 -43.53 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.03 -45.0 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -71.04 -39.76 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.38 87.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.62 -35.08 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.157 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -107.02 20.17 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -81.12 104.94 11.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -74.61 -49.0 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -112.51 23.04 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 -169.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 55.9 41.76 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -124.18 11.24 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.77 46.19 84.47 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -144.45 160.75 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.182 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.83 119.36 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -83.69 -178.35 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -65.21 -40.95 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -57.21 -37.85 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -89.82 -22.28 22.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.63 -34.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.22 -26.58 60.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -82.9 -37.29 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.2 ttm -53.3 -45.9 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.6 mmm -67.98 -19.46 64.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.179 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.28 -30.03 68.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -87.15 -30.04 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 124.09 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.217 -179.848 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.2 -31.31 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.04 -35.39 80.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.261 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -76.85 -33.81 57.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.206 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.51 -24.86 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -64.07 -41.32 97.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.35 -44.77 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.31 -40.27 95.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -36.1 82.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.99 -41.49 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -79.64 -26.96 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.54 77.34 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.16 -35.78 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.291 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.86 39.46 24.38 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.29 -10.69 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.23 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.56 15.41 53.08 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -162.77 168.01 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.0 mm -94.25 120.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.26 170.19 16.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -64.08 -44.33 92.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -37.43 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.255 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.14 -35.49 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -65.25 -40.18 93.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.25 65.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.35 -42.03 84.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.71 -44.94 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -55.18 -43.96 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.67 -40.57 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.53 -22.72 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -91.45 -10.06 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.93 28.15 47.14 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 47.6 tp10 -94.49 131.26 40.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.188 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -91.33 89.79 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.231 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 92.2 mt -120.29 154.34 35.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 174.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -82.93 171.93 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -35.05 68.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.98 -43.03 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.97 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.21 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -43.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.2 -34.84 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.52 -46.73 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 -37.23 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.276 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.91 -32.74 85.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.67 -38.75 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.211 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.2 p -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -77.44 75.7 3.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.7 m -64.2 -39.31 93.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.35 -10.13 59.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.37 44.31 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.188 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -106.79 -1.32 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.287 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.6 23.18 58.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -151.4 159.96 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.214 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 93.8 mt -111.85 118.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.84 170.8 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.234 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.05 -45.97 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.79 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.37 -26.39 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.52 -45.23 91.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -34.32 72.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.45 -40.62 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -64.84 -40.98 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.13 -23.09 65.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 174.585 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.84 -47.38 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -33.98 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -64.97 -34.96 79.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 177.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -63.05 -42.3 99.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.27 -44.07 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.37 -36.82 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -61.24 -46.25 91.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.84 -35.27 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.82 -46.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.22 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -72.84 -29.68 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.02 86.99 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.64 -31.32 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -169.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.93 -26.85 17.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -174.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.19 38.3 9.24 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.84 -19.96 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.258 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.09 8.91 57.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -159.37 167.73 28.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.148 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -99.41 119.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.42 171.0 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.42 -35.78 78.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.21 -37.56 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.7 -40.66 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.09 79.87 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.89 -42.88 89.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.221 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.1 mt -54.21 -40.04 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.0 -38.94 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -78.08 -25.04 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.84 -27.19 55.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -92.26 -15.09 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.25 23.81 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -100.24 149.32 23.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.0 95.87 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.91 152.62 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.56 171.42 11.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.228 170.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -35.46 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.69 -39.37 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.68 -46.46 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.3 t -64.81 -48.93 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.231 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.87 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.27 -49.93 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.11 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.68 -50.14 68.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.45 93.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.65 -35.54 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.241 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 m -72.69 -31.97 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.84 80.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -76.67 -25.05 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.252 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.79 -9.93 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.18 44.84 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -98.09 -1.62 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.9 31.09 27.24 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -172.5 156.25 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -171.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.0 mt -100.45 115.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 174.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.01 173.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.197 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.81 -49.53 77.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.29 -39.84 95.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.71 -31.75 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.55 -44.19 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.76 -42.02 83.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.4 -37.2 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.16 -45.86 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.23 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.96 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.22 -30.38 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.248 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.69 -35.14 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.01 -34.26 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.95 -25.2 61.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -61.42 -38.91 88.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -72.49 -40.31 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.22 -40.43 93.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.64 -46.5 88.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.84 -35.16 79.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.34 -46.17 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -74.98 -28.72 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -77.4 85.91 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.38 -26.63 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.267 -169.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.62 -28.07 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 35.78 10.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.67 -24.67 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 12.11 41.34 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.0 168.37 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.5 mm -99.79 121.53 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.243 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.19 170.14 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.13 -44.97 90.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.54 -36.35 78.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.02 -35.87 81.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.43 -39.12 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.32 -40.97 69.95 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.0 -43.15 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.99 -44.89 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.3 mm -58.95 -40.93 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -68.19 -35.8 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.67 -29.71 64.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -86.11 -6.88 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 27.8 61.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -92.51 134.81 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.4 93.34 8.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -123.1 154.97 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.6 p -84.48 172.46 11.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.67 -36.51 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -75.15 -40.19 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.05 -40.18 94.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.59 -46.78 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.4 -33.09 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 -49.93 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.214 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.03 -49.22 72.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.5 -33.35 81.28 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.89 -34.94 74.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.2 p -80.77 -16.21 54.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -76.24 76.55 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -65.8 -40.87 92.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.211 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.24 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.85 44.88 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -104.56 0.48 28.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.88 -2.88 66.93 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -136.13 174.76 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.147 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 99.5 mt -108.06 117.16 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.219 170.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.1 173.08 12.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -63.29 -49.08 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.38 90.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.08 -34.75 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.3 -44.04 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.54 -37.05 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.43 -25.96 33.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -69.85 -46.11 66.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.29 -22.3 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 174.213 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.09 -26.45 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.94 -38.47 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.88 -33.39 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -71.16 -25.57 62.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 176.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -66.45 -41.94 88.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.66 -45.7 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.8 m -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.69 -51.54 69.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.49 -36.37 76.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -69.94 -43.9 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.266 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -74.53 -21.11 59.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -72.08 78.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.188 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.93 -41.74 97.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -67.42 -32.36 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.55 35.37 32.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -95.12 -9.86 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.06 20.4 33.36 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -169.78 165.77 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.73 124.96 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -98.35 179.91 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 171.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -65.71 -39.68 91.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 -173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.24 -34.89 79.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.29 -37.89 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.81 -31.85 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.04 -20.35 57.85 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -94.38 -34.32 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.58 -39.88 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 pt -64.51 -19.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -97.38 -27.71 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.22 -27.83 63.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -92.2 -20.78 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.45 23.62 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -101.8 136.91 40.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 111.225 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -80.02 79.99 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.72 140.7 44.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -85.03 172.31 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -58.55 -36.0 73.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.211 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.75 -38.43 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.25 -39.8 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.71 -49.56 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.68 -35.27 76.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.07 -50.61 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.05 -43.54 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.65 -47.15 85.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.61 -36.3 91.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.64 -38.69 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.204 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -70.79 -31.74 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.11 75.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -72.76 -26.48 61.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.46 -13.06 57.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 55.12 44.55 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -102.7 -4.01 25.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.89 2.44 78.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.57 152.71 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 0.0 111.237 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.17 117.06 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.258 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.54 174.92 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.234 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.0 -46.75 83.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.06 -29.82 60.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.53 -34.62 75.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.6 mp -56.22 -33.89 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.58 -37.32 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.5 ttm -53.23 -45.7 68.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -77.36 -22.58 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 172.513 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -31.14 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.279 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -34.91 79.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.57 -29.29 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.24 -24.32 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -64.64 -37.02 86.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 171.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.01 -42.33 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -60.63 -41.67 95.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -53.21 -47.21 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.69 -32.98 74.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.86 -40.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -78.8 -27.81 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.165 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -76.67 80.36 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.1 -40.04 95.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.02 29.23 29.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -93.98 -8.68 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.55 6.0 59.91 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.18 148.33 49.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.784 0.326 . . . . 0.0 111.191 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.38 119.46 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.2 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -88.22 -175.06 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -173.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -41.11 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.258 -176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -76.73 -29.98 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.32 -34.41 75.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.29 -36.75 37.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.65 -33.64 76.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.94 -44.94 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.259 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 33' ' ' GLY . 49.7 mm -87.65 -29.92 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.06 -34.66 44.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.28 -34.75 74.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.4 p -124.66 13.06 8.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -104.62 39.13 2.94 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.39 -32.39 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 111.188 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -100.28 7.33 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.205 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.87 148.91 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.32 172.7 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.8 -35.18 77.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.4 -38.58 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.71 -43.26 90.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.14 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.1 -36.48 84.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.32 -39.75 85.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.01 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.54 -49.24 77.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.34 -37.16 93.6 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.22 -38.82 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.9 p -77.01 -21.34 54.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -79.18 75.14 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.4 p -75.84 -25.03 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -80.16 -12.42 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 55.0 46.53 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -121.1 2.13 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.16 10.38 85.56 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -135.85 141.27 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.221 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.12 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -93.55 -173.82 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -62.26 -40.61 96.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.227 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.31 -48.56 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.01 -35.11 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.79 -49.06 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.51 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.88 -37.32 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.8 tpt -65.34 -42.81 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.94 -21.59 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -173.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 175.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.01 -40.23 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.51 -34.99 77.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.41 -34.74 41.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.35 -17.82 60.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -60.29 -37.83 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -75.51 -39.56 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.3 m -60.44 -41.3 93.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.42 -45.54 76.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.98 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.7 -45.08 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.98 -26.01 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.06 74.72 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.88 -45.79 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.68 -14.8 58.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -173.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.03 42.84 50.69 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -84.86 -16.92 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.09 5.7 60.65 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -155.23 165.11 37.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.3 mm -102.18 124.43 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -94.82 -175.98 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.38 -40.11 95.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.51 -46.76 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.43 -26.83 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.49 -38.95 85.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.91 -36.82 43.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.41 -34.84 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.206 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.08 -50.73 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLY . 10.0 tp -68.47 -22.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -54.64 -30.04 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.08 -28.25 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.1 p -125.16 16.16 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -95.96 19.6 53.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.59 -33.91 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 111.175 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -109.18 -1.45 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.56 148.13 22.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.93 172.46 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.19 -35.16 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.77 -40.32 79.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.3 -41.75 85.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.36 -48.1 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.83 -37.48 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.04 -43.26 92.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.05 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.15 -48.79 77.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.84 92.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.81 -40.18 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.217 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -69.88 -38.29 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.21 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -73.28 75.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.217 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.35 -10.03 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.75 44.86 25.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.91 -10.07 22.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.82 13.46 72.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.8 142.42 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.12 123.24 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 174.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -89.42 -178.72 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.5 -37.95 74.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.29 -43.4 83.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.54 -34.91 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.06 -44.61 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.24 -41.45 84.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.08 -37.74 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.7 mtt -64.89 -45.32 86.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -75.69 -21.9 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 170.263 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.13 -29.94 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.24 -41.8 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.44 -33.6 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.97 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.241 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -39.79 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.09 -48.45 76.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.4 m -64.94 -38.34 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.63 -50.83 71.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.03 -35.86 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.71 -43.94 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -71.6 -30.31 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -76.5 76.53 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.8 -35.0 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.79 19.37 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -90.36 -11.66 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.181 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.95 22.68 14.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -174.38 165.7 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 111.171 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -92.8 118.52 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -79.87 170.87 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -62.95 -44.96 94.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.25 -38.96 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -37.32 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 74.8 t80 -66.0 -38.95 89.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.99 -41.27 84.41 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -68.44 -33.27 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.249 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PHE . 94.4 mt -61.13 -47.56 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.9 mt -70.16 -35.5 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.04 -30.33 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.33 -57.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -121.42 -8.7 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.24 -169.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.95 1.87 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.7 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.28 -24.49 60.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -90.93 155.66 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -97.01 175.37 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.86 -27.97 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.83 -31.84 61.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.31 -26.45 68.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.6 t -55.41 -55.27 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.28 -38.78 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.86 -45.99 72.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.47 -37.65 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -53.97 -49.27 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.81 -35.03 91.43 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.03 -34.21 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -78.87 -29.74 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -76.32 82.16 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.236 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 p -76.75 -25.1 53.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -82.42 -10.14 59.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.95 42.92 30.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.11 -0.65 43.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.06 33.09 27.39 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -171.82 157.06 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 111.223 -171.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -104.76 114.74 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.17 175.19 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.28 -49.36 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.16 -40.26 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.28 -31.12 68.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -64.57 -42.15 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.207 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -40.08 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.61 -27.65 34.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.77 -42.46 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.84 -13.74 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 -175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 172.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.35 -30.95 70.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.15 -48.05 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.52 -27.94 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -71.89 -27.33 62.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -75.68 -39.99 56.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.19 -43.66 92.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -55.29 -44.51 75.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -34.37 78.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -66.02 -44.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -81.82 -43.18 18.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -84.98 74.12 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.63 -25.65 49.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.99 -28.4 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.64 37.84 15.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -69.78 -34.66 74.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.209 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.95 7.95 59.45 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -162.57 165.36 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.9 mm -104.49 125.31 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.31 170.09 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -66.62 -46.94 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.95 -33.62 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.71 -45.16 75.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.83 -37.89 77.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.07 -31.2 61.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.28 -35.58 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 111.119 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.18 -47.33 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -61.34 -28.43 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.186 -175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 35' ' ' GLN . 88.6 mtm180 -77.21 -22.24 52.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.47 -16.21 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.1 p -86.99 -20.25 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.69 30.48 3.25 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -134.71 95.45 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.186 172.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 65.0 tt0 -70.28 117.19 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -111.43 152.51 27.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -78.02 173.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.61 -35.35 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.44 -42.05 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -35.79 82.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.53 -46.3 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.9 -38.73 79.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.72 -47.06 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.41 -35.38 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.27 -48.84 73.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.16 -33.45 86.99 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.84 -39.99 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 111.241 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 -34.85 73.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.0 76.53 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.6 p -75.56 -25.07 56.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.87 -13.9 59.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 55.01 43.11 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -102.85 1.19 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.71 -9.95 58.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -137.35 160.65 38.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -92.2 119.97 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.6 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.68 -51.82 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.5 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.58 -45.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -43.26 83.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.226 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.48 -37.5 82.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.243 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -64.59 -43.43 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.1 mmm -60.92 -35.06 75.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 176.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -34.62 73.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -174.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.98 -37.83 88.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.1 -34.56 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.04 -23.26 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -65.45 -40.46 93.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.99 -44.15 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.39 -40.07 96.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.84 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.46 -35.67 78.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.92 -45.17 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -73.01 -31.18 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -76.22 81.81 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.36 -37.46 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.83 -39.81 95.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.08 24.51 54.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -95.94 -0.74 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.194 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.61 11.82 70.56 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 98.7 m-85 -134.65 154.15 51.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 111.193 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.8 mm -96.65 122.98 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -84.84 169.92 13.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -63.32 -42.97 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.67 -37.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -65.5 -37.01 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.51 -40.08 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.07 -40.22 73.03 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.24 -41.55 81.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.236 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.51 -39.93 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.23 -42.59 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.95 -24.95 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -93.78 -15.79 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.57 20.05 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -102.49 150.04 23.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.95 99.98 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.02 171.09 12.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.38 -34.8 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.51 -36.29 76.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.39 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -55.97 -54.77 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.77 -43.27 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.58 -50.12 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.236 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.31 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.04 -48.26 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.07 -34.24 89.27 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.9 -34.48 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -79.72 -26.38 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -76.58 76.83 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.95 -15.57 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.09 42.06 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -105.77 3.11 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.28 -3.03 66.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 89.3 mmt-85 -137.56 154.59 49.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -100.16 121.19 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -78.16 174.31 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.3 -45.73 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.9 -40.37 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -63.75 -42.8 97.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.9 -39.46 85.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.81 -35.98 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.1 ttp -62.65 -44.26 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.3 mmm -76.1 -27.26 57.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.177 171.657 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -36.14 83.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.72 -37.07 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.74 -39.86 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.243 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 -22.92 57.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -64.98 -42.56 94.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.61 -42.36 86.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.1 m -65.01 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.19 -47.15 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.08 -44.94 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -45.31 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.11 -34.35 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -77.14 77.73 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.58 -31.47 68.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -171.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.14 -20.28 38.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.32 41.21 38.53 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.55 -19.26 42.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.33 10.75 56.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -164.97 169.16 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 111.197 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.5 mm -102.06 121.87 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -96.41 -178.32 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.282 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.84 -44.9 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.79 -37.51 76.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' HD12 ' A' ' 28' ' ' ILE . 72.0 t80 -65.02 -36.74 85.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.45 -42.07 64.65 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -70.3 -42.41 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.206 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.0 mt -55.03 -39.75 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 36' ' ' LEU . 90.6 mt -55.21 -45.98 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.99 -29.88 63.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.85 -28.89 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -88.03 -15.42 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.05 30.58 25.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -100.89 159.04 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -109.97 79.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 29' ' ' ILE . 94.3 mt -115.07 151.6 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 p -102.95 176.52 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.54 -31.68 71.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.14 -30.05 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -79.75 -31.51 40.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.11 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.28 -41.74 93.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.38 -52.08 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.39 -43.38 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -55.83 -49.73 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.06 -41.1 97.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.62 -35.02 74.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.3 m -78.92 -28.76 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.03 81.62 2.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -76.35 -26.43 55.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.5 -10.75 59.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.269 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.15 42.08 30.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.26 -4.16 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.259 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.44 34.5 16.55 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -172.23 155.63 3.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 43.9 mm -96.79 112.92 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.278 173.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -73.1 174.3 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.84 -47.25 81.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.82 -39.31 93.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.55 -30.39 68.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.43 -42.51 87.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.16 -42.7 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.176 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.05 -36.42 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.6 ttp -64.98 -43.88 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.89 -30.67 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.189 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 174.377 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.319 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.52 -28.69 70.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -56.65 -45.36 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.42 -32.87 48.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.59 -31.46 71.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -68.38 -25.46 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -77.86 -40.52 39.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.18 -42.78 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -55.09 -46.61 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.07 -27.74 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -174.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.48 69.86 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.229 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -72.0 -27.17 62.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.03 -20.61 41.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 41.28 49.36 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.11 -19.34 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.8 15.64 48.45 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -163.57 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.1 mm -100.09 120.82 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -84.13 174.14 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -62.25 -40.32 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.93 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -76.99 -25.2 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 80.2 t80 -68.66 -34.56 75.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.04 -39.31 68.84 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -67.99 -35.96 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 95.1 mt -61.42 -50.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.49 -16.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -74.85 -40.59 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.9 mt -90.91 -19.45 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -172.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -93.01 -3.04 55.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.26 45.16 20.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 173.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.57 108.61 17.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.271 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -88.91 99.85 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -113.51 152.67 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.1 p -83.77 173.29 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.54 -37.55 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.73 -42.53 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.6 -37.41 86.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.16 -45.8 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.187 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.65 -39.62 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -49.75 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.47 -39.52 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -56.69 -47.29 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.51 -29.57 72.98 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.36 -38.38 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.5 p -77.56 -20.2 54.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.65 75.09 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.247 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -61.29 -40.92 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -75.91 -12.01 60.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.226 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 55.21 45.51 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -101.42 2.67 39.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.46 -7.95 61.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -138.95 169.1 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -99.31 117.48 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -76.51 172.48 12.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.252 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.68 -54.17 50.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.49 -36.04 82.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.35 -35.94 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 65' ' ' MET . 80.0 t80 -63.4 -44.38 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 174.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.19 -44.17 92.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -41.33 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.2 ttp -62.09 -47.77 83.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 61' ' ' PHE . 98.3 mmm -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 174.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.65 -31.79 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.1 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.69 -35.15 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.18 -24.28 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -57.91 -38.65 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.219 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.33 -41.19 49.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.32 -40.74 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -55.12 -46.89 75.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.7 -34.73 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.3 -43.83 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -80.35 -26.52 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.11 74.3 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -74.38 -22.31 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -170.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -89.89 -19.9 24.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.97 40.46 35.31 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.98 -18.81 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.17 14.34 54.51 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -165.77 165.47 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.219 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -102.81 116.83 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -91.93 -174.98 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -61.15 -45.13 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -170.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.7 -39.62 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.23 -30.15 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.44 -36.01 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.87 -37.34 61.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -68.94 -35.09 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.66 -48.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -71.38 -34.42 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -54.45 -42.52 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.232 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -57.87 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -106.28 -17.04 14.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 -165.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.95 55.03 1.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -26.78 68.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.42 -4.54 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.64 153.3 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.2 p -93.2 175.01 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.41 -31.79 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.44 -28.02 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.16 -53.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.91 -37.21 75.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.42 -47.42 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.93 -37.29 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.93 -50.59 68.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.22 92.81 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.47 -35.91 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -82.06 -18.97 41.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -79.3 74.89 5.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.6 m -64.91 -38.4 90.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.16 -9.94 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.61 45.01 25.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.01 -9.67 33.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.03 14.05 70.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -154.95 159.58 40.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.221 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.8 mm -108.3 116.62 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.49 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.13 -40.35 95.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.8 -39.26 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.31 -27.21 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.35 -44.89 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.82 -37.24 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -80.89 -35.06 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.6 ttp -64.14 -43.34 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.17 -29.94 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 175.383 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.99 -32.31 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.35 -41.33 85.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.3 -32.26 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.9 -34.83 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.209 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -67.39 -40.32 85.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.07 -43.84 90.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.92 -46.02 74.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.95 -34.17 77.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.98 -44.65 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -80.38 -24.31 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -75.33 77.99 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.35 -36.71 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.1 -39.77 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 23.38 51.89 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -95.94 -0.61 50.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 111.315 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.87 10.35 75.88 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.32 154.94 51.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -98.22 118.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.81 171.76 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -57.43 -45.04 85.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.09 -40.24 90.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -69.46 -30.36 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.2 t80 -67.58 -40.64 84.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 174.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -37.47 92.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 173.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -65.66 -38.1 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 25' ' ' PHE . 89.6 mt -55.86 -49.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 174.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.88 -41.4 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -68.75 -39.51 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.8 -30.15 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.7 p -80.36 -20.36 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.05 40.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 172.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 3.9 tp10 -84.83 129.12 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 111.18 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -80.22 79.98 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.221 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 93.9 mt -116.22 149.62 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -85.32 170.09 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.61 -34.88 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.35 -36.94 77.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.35 -41.56 98.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.73 -48.07 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.27 -43.61 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.53 -50.16 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.01 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.69 -49.74 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -33.48 87.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.97 -38.72 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -77.58 -21.15 52.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.04 75.19 10.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.198 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -59.67 -44.54 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.19 -171.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -92.19 5.15 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 54.78 46.01 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 173.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -97.58 -2.06 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.83 8.64 82.33 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -137.79 147.17 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.26 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.8 mt -103.38 121.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 170.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -86.45 -173.81 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -66.61 -42.9 86.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -172.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.04 -44.82 95.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.5 -31.36 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.38 -46.48 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.5 mp -57.76 -37.57 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.09 -36.85 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.2 mmt -72.72 -31.74 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.17 -28.65 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.228 175.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.85 -30.33 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.22 -35.57 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.16 -33.03 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 173.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -84.02 -14.06 51.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -65.82 -38.92 90.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 168.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.28 -42.77 92.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.91 -41.78 99.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -55.95 -43.23 77.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.81 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.51 -44.87 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -77.19 -30.44 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.266 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -77.61 70.82 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 172.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.86 -25.51 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.22 -35.55 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.96 37.48 12.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 95.9 m-20 -96.83 -10.89 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -172.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.39 17.46 49.75 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 42.0 p90 -162.38 172.03 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 177.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.89 117.94 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.14 170.03 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 175.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.38 -45.09 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -35.07 77.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -70.38 -30.44 67.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -65.67 -34.99 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.32 -33.6 58.49 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.59 -33.24 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.196 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.32 -45.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -75.3 -19.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.98 -39.49 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.224 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.23 -4.88 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.21 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.0 m -76.84 -41.32 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 166.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.53 23.22 7.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.26 99.78 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -80.07 100.01 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.63 153.52 25.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.132 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.7 p -79.34 172.75 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.05 -35.67 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -81.28 -40.29 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.245 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.21 -35.17 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.96 -42.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.53 -40.88 98.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.92 -48.73 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.81 -31.58 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.01 -47.77 84.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.82 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.95 -34.72 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -77.04 -25.12 52.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -72.8 76.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.7 m -64.0 -37.84 88.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.83 -9.62 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.91 44.93 24.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -92.0 -9.16 43.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.42 -26.95 18.47 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -139.89 172.71 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.19 121.39 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.17 -175.05 5.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.56 -37.63 77.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.09 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.283 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -78.24 -30.32 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.52 -46.39 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.9 -33.84 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -73.45 -33.91 65.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.0 mmt -69.69 -29.49 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.1 mmm -75.27 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.166 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -178.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.12 -41.02 62.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.98 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -34.14 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -75.8 -24.07 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -64.87 -39.92 94.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.45 -45.4 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.23 -37.37 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.17 -46.19 89.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.96 -34.85 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.268 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.8 -45.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -71.45 -36.16 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.203 -173.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.94 75.05 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.263 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.07 -30.17 67.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.88 -24.32 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.03 36.2 47.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.85 -21.87 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 18.8 24.4 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -176.1 166.19 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.5 mm -90.85 117.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -80.02 170.03 17.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -64.67 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.85 -37.51 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.245 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.24 -36.5 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.224 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.08 -39.6 92.32 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.51 -38.15 88.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.58 -41.15 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.73 -30.0 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.243 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.97 -46.15 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.7 p -119.37 -16.15 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -168.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.9 1.87 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.92 -29.81 70.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.229 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.21 -2.48 55.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.244 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.1 148.7 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -91.36 175.06 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.93 -28.25 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.9 -34.62 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.02 -27.43 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.05 -55.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.85 -36.04 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.68 -51.07 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.95 -38.33 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -37.06 93.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.52 -34.63 77.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.0 m -78.32 -29.98 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -81.08 75.21 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -75.74 -16.82 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -177.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.06 -10.03 57.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.03 43.25 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.94 -8.0 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.95 31.07 27.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -172.26 156.73 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.237 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 90.8 mt -109.44 110.48 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.95 170.1 16.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.18 -39.94 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.75 -38.28 81.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.53 -18.81 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -66.42 -42.17 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.45 -30.44 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -79.1 -37.99 37.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -65.03 -44.76 88.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.245 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.39 -27.93 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 176.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.0 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.05 -30.48 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -37.55 80.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 176.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.34 -34.75 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -71.88 -26.79 62.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -67.96 -42.07 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -45.79 88.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -64.97 -37.35 87.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.55 -47.33 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.5 -39.2 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.21 -45.16 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.74 -30.63 64.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -170.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.12 81.02 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.195 173.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.9 -34.89 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -174.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -68.49 -34.89 76.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 32.97 22.05 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -84.94 -14.71 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.94 20.45 16.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -172.61 164.83 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.3 mm -88.3 119.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -80.67 170.01 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -63.28 -49.57 73.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.32 -31.58 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.2 -34.95 77.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 83.2 t80 -64.96 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 173.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.72 -39.4 54.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.18 -41.75 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 90.1 mt -55.06 -39.9 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 36' ' ' LEU . 97.5 mt -57.43 -42.18 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.96 -30.56 66.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.31 -25.06 57.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -94.82 -17.29 22.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.205 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.01 34.22 24.66 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -99.94 151.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 111.206 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -100.04 70.14 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 29' ' ' ILE . 90.6 mt -104.28 154.34 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -88.55 170.99 10.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.86 -35.56 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.36 -38.31 90.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.51 -54.22 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.78 -40.61 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.38 -49.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.03 -40.1 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.91 -51.73 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.73 93.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.293 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -65.88 -39.92 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -72.87 114.88 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -94.83 -10.17 32.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.228 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -100.06 -13.0 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.93 47.0 10.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -111.48 -8.39 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.16 41.84 6.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -148.56 157.73 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.181 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 87.0 mt -121.26 107.75 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 171.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -76.29 178.97 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -63.61 -51.13 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.12 -39.73 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.27 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.24 -42.95 99.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.09 -44.84 87.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.33 -35.43 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.3 ttp -65.0 -47.13 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.21 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 174.224 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.01 -28.67 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.45 -32.8 54.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.8 -25.57 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -73.61 -28.34 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.83 -40.17 65.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.35 -43.78 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.16 -44.4 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.38 -31.41 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.48 -45.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.75 -26.83 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -171.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -78.19 70.92 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -69.92 -23.9 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.246 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.8 -28.41 55.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.94 34.98 51.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -86.73 -15.03 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.13 13.62 55.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -166.76 169.29 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.255 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -99.93 117.67 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -92.5 -174.3 3.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -46.2 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -169.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.42 -46.66 82.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.254 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.77 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.219 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' ILE . 66.9 t80 -70.16 -38.15 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.68 -39.67 76.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.26 -37.34 85.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 0.0 111.229 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.3 mt -59.41 -41.67 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.38 -41.09 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.96 -41.95 99.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 176.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -81.86 -19.95 39.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.8 m -69.31 -40.16 77.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.14 26.85 4.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.3 140.3 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -99.87 70.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.1 mt -90.86 151.04 21.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.5 p -81.27 174.92 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 173.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.88 -35.03 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.27 -39.85 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.0 -37.13 83.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.01 -43.07 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.01 -32.3 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.49 -49.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -74.21 -30.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.208 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -55.19 -50.55 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 171.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.87 -33.22 85.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.223 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -75.41 -31.14 60.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -77.6 79.55 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -61.98 -39.46 92.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.93 -7.12 58.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.62 44.99 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -88.06 -8.26 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.65 26.47 32.37 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -172.72 154.56 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.2 -173.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -107.9 111.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.26 -175.01 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -62.73 -46.57 87.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.39 -44.64 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.07 -29.8 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.55 -44.37 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.62 -36.19 80.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -70.17 -39.31 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -68.82 -42.79 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mmm -65.32 -21.74 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 173.699 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.77 -30.02 70.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.69 -42.43 97.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.7 -31.39 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.96 -23.65 58.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -40.01 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.263 170.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.89 -41.43 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.3 m -60.55 -40.37 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.43 -47.01 70.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 176.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.54 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -68.93 -47.45 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.16 -31.36 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -171.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.04 75.95 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.67 -37.47 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.37 -36.0 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.87 31.52 20.58 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.24 -29.57 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.35 -6.11 71.4 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.85 143.08 48.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.4 115.72 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -95.07 -172.39 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -64.77 -34.78 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.54 -44.81 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.262 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -73.15 -35.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -61.21 -43.66 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.23 -40.36 97.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.16 -39.82 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.88 -40.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.21 -44.63 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.62 -30.48 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.94 -31.5 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -86.12 -17.43 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.92 34.88 46.57 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -92.91 144.7 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.221 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.87 99.97 10.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.8 mt -121.81 145.05 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.3 p -84.9 173.85 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 174.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.91 -29.52 69.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.26 -39.25 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.3 -44.86 88.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 m -71.09 -25.78 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -77.85 -35.08 51.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.77 -44.19 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.29 -49.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.94 -44.48 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.8 -44.18 95.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -65.11 -37.7 88.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.218 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 m -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -73.44 79.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -81.12 -25.6 36.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.59 -15.16 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.03 47.68 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -122.5 3.86 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.98 6.22 85.27 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.04 129.61 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 98.6 mt -88.11 112.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -85.42 -172.3 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.95 -53.52 56.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.39 -37.94 89.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -70.08 -30.57 67.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.02 -40.48 95.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.57 -37.51 75.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -70.71 -40.8 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -59.87 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.4 mmm -62.56 -30.32 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.244 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.166 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.12 -31.12 71.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.95 -44.77 96.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.29 -32.92 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.96 -21.32 59.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -65.12 -40.83 95.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 170.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.81 -43.35 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.1 m -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.5 -46.2 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.81 -35.68 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.9 -42.48 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -76.38 -25.38 54.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -73.79 72.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 169.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.26 -27.44 59.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -71.37 -36.64 71.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.81 39.25 8.21 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.15 -10.35 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.13 -5.53 68.41 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.75 163.83 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.22 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.6 mm -88.89 122.25 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -81.03 170.17 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -62.69 -45.79 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.5 -33.45 74.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.42 -30.2 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.99 -35.44 81.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.21 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.28 -41.57 47.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.3 -33.22 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.202 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.6 mt -75.26 -54.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.77 -20.02 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -74.38 -14.2 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.4 -36.45 78.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -124.49 -13.15 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 175.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.11 41.03 2.34 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -69.96 -12.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.17 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.26 3.63 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -92.58 155.16 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -84.83 166.44 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.35 -30.01 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 172.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.66 -40.6 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 174.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.91 -44.97 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -37.9 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.11 -44.57 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.22 -40.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.83 -50.14 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.14 -34.54 89.95 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.16 -37.59 81.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 111.191 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -79.28 -20.01 49.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.97 74.87 9.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.267 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.1 -7.24 58.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.34 45.84 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.81 -11.97 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.14 3.37 79.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -139.95 156.61 46.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.225 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 91.2 mt -107.63 122.31 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.37 -174.95 5.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -68.16 -39.58 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.71 -44.94 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.32 -31.75 58.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.186 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.95 -45.96 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -34.64 78.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.92 -32.29 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.2 mmt -76.44 -31.63 57.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 176.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -87.74 -7.27 57.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.194 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.333 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 98.0 mt-10 -63.76 -30.28 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -37.03 86.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -81.44 -27.69 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.37 -32.51 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.65 -29.14 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.26 -43.44 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.42 -36.07 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.43 -47.95 81.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.03 -49.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.206 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.87 -32.7 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -84.88 73.91 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.34 -30.13 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -173.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.51 -25.7 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.42 36.85 37.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.52 -23.83 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.36 18.97 26.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -175.4 167.34 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.4 mm -102.6 119.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.205 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -95.11 -176.12 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.86 -22.38 58.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 -171.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.12 -40.28 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.9 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' HA ' HD12 ' A' ' 28' ' ' ILE . 87.2 t80 -59.95 -42.0 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.95 -40.25 72.16 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -36.88 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 25' ' ' PHE . 92.8 mt -60.99 -45.77 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.0 pt -80.02 -19.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -65.09 -34.91 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.25 -25.2 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -93.89 -17.48 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.87 25.94 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -105.76 115.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 111.237 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -91.56 100.08 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -108.54 149.74 28.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.5 p -85.04 170.61 12.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.06 -36.65 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.14 -40.56 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.37 -46.39 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.48 -42.88 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.98 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.07 -43.53 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.03 -45.0 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -71.04 -39.76 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.38 87.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.62 -35.08 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.157 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -107.02 20.17 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -81.12 104.94 11.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -74.61 -49.0 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -112.51 23.04 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 -169.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 55.9 41.76 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -124.18 11.24 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.77 46.19 84.47 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -144.45 160.75 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.182 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.83 119.36 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -83.69 -178.35 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -65.21 -40.95 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -57.21 -37.85 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -89.82 -22.28 22.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.63 -34.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.22 -26.58 60.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -82.9 -37.29 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.2 ttm -53.3 -45.9 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.6 mmm -67.98 -19.46 64.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.179 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 173.55 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.2 -31.31 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.04 -35.39 80.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.261 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -76.85 -33.81 57.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.206 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.51 -24.86 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -64.07 -41.32 97.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.35 -44.77 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.31 -40.27 95.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -36.1 82.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.99 -41.49 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -79.64 -26.96 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.231 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.54 77.34 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.16 -35.78 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.291 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.86 39.46 24.38 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.29 -10.69 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.23 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.56 15.41 53.08 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -162.77 168.01 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.0 mm -94.25 120.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.26 170.19 16.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -64.08 -44.33 92.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.33 -37.43 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.255 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.14 -35.49 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -65.25 -40.18 93.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.25 65.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.35 -42.03 84.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.71 -44.94 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -55.18 -43.96 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.67 -40.57 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.53 -22.72 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -91.45 -10.06 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.93 28.15 47.14 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 47.6 tp10 -94.49 131.26 40.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.188 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -91.33 89.79 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.231 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 92.2 mt -120.29 154.34 35.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 174.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -82.93 171.93 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -35.05 68.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.98 -43.03 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.97 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.21 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -43.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.2 -34.84 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.52 -46.73 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 -37.23 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.276 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.91 -32.74 85.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.67 -38.75 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.211 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.2 p -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -77.44 75.7 3.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.7 m -64.2 -39.31 93.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.35 -10.13 59.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.37 44.31 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.188 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -106.79 -1.32 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.287 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.6 23.18 58.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -151.4 159.96 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.214 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 93.8 mt -111.85 118.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.84 170.8 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.234 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.05 -45.97 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.79 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.37 -26.39 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.52 -45.23 91.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -34.32 72.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.45 -40.62 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 174.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -64.84 -40.98 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.13 -23.09 65.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -84.24 -31.5 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -84.21 -21.62 31.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.3 t -114.5 117.8 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.449 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.84 -47.38 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -33.98 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -64.97 -34.96 79.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 177.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -63.05 -42.3 99.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.27 -44.07 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.37 -36.82 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -61.24 -46.25 91.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.84 -35.27 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.82 -46.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.22 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -72.84 -29.68 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.02 86.99 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.64 -31.32 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -169.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.93 -26.85 17.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -174.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.19 38.3 9.24 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.84 -19.96 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.258 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.09 8.91 57.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -159.37 167.73 28.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.148 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -99.41 119.69 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -80.42 171.0 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.42 -35.78 78.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.21 -37.56 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.7 -40.66 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.09 79.87 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.89 -42.88 89.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.221 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.1 mt -54.21 -40.04 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.0 -38.94 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -78.08 -25.04 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.84 -27.19 55.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -92.26 -15.09 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.25 23.81 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -100.24 149.32 23.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.0 95.87 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.91 152.62 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.56 171.42 11.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.228 170.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -35.46 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.69 -39.37 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.68 -46.46 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.3 t -64.81 -48.93 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.231 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.87 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.27 -49.93 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.11 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.68 -50.14 68.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.45 93.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.65 -35.54 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.241 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 m -72.69 -31.97 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.84 80.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -76.67 -25.05 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.252 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.79 -9.93 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.18 44.84 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -98.09 -1.62 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.9 31.09 27.24 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -172.5 156.25 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -171.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.0 mt -100.45 115.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 174.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.01 173.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.197 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.81 -49.53 77.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.29 -39.84 95.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.71 -31.75 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.55 -44.19 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.76 -42.02 83.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.4 -37.2 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.16 -45.86 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.23 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.96 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -77.46 -35.61 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -85.52 -20.45 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.03 108.38 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.228 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.22 -30.38 71.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.248 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.69 -35.14 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.01 -34.26 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.95 -25.2 61.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -61.42 -38.91 88.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -72.49 -40.31 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.22 -40.43 93.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.64 -46.5 88.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.84 -35.16 79.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.34 -46.17 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -74.98 -28.72 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -77.4 85.91 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.38 -26.63 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.267 -169.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.62 -28.07 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 35.78 10.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.67 -24.67 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.167 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 12.11 41.34 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -164.0 168.37 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.5 mm -99.79 121.53 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.243 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.19 170.14 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.13 -44.97 90.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.54 -36.35 78.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.02 -35.87 81.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.43 -39.12 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.32 -40.97 69.95 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.0 -43.15 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -55.99 -44.89 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.3 mm -58.95 -40.93 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -68.19 -35.8 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.67 -29.71 64.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -86.11 -6.88 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 27.8 61.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -92.51 134.81 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.4 93.34 8.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -123.1 154.97 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.6 p -84.48 172.46 11.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.67 -36.51 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -75.15 -40.19 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.05 -40.18 94.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.59 -46.78 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.4 -33.09 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.97 -49.93 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.214 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.03 -49.22 72.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.5 -33.35 81.28 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.89 -34.94 74.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.2 p -80.77 -16.21 54.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -76.24 76.55 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -65.8 -40.87 92.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.211 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.24 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.85 44.88 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -104.56 0.48 28.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.88 -2.88 66.93 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -136.13 174.76 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.147 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 99.5 mt -108.06 117.16 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.219 170.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.1 173.08 12.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -63.29 -49.08 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.38 90.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.08 -34.75 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.3 -44.04 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.54 -37.05 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.43 -25.96 33.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -69.85 -46.11 66.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.29 -22.3 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.69 -24.77 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.69 7.22 45.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.209 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -107.12 119.25 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.702 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.09 -26.45 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.25 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.94 -38.47 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.88 -33.39 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -71.16 -25.57 62.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 176.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -66.45 -41.94 88.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.66 -45.7 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.8 m -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.69 -51.54 69.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.49 -36.37 76.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -69.94 -43.9 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.266 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -74.53 -21.11 59.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -72.08 78.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.188 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.93 -41.74 97.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -67.42 -32.36 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.55 35.37 32.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -95.12 -9.86 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.06 20.4 33.36 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -169.78 165.77 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.73 124.96 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -98.35 179.91 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 171.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -65.71 -39.68 91.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 -173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.24 -34.89 79.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.29 -37.89 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.81 -31.85 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.04 -20.35 57.85 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -94.38 -34.32 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.58 -39.88 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 pt -64.51 -19.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -97.38 -27.71 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.22 -27.83 63.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -92.2 -20.78 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.45 23.62 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -101.8 136.91 40.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 111.225 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -80.02 79.99 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.72 140.7 44.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -85.03 172.31 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -58.55 -36.0 73.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.211 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.75 -38.43 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.25 -39.8 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.71 -49.56 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.68 -35.27 76.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.07 -50.61 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.05 -43.54 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.65 -47.15 85.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.61 -36.3 91.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.64 -38.69 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.204 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -70.79 -31.74 68.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.11 75.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -72.76 -26.48 61.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.46 -13.06 57.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 55.12 44.55 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -102.7 -4.01 25.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.89 2.44 78.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.57 152.71 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 0.0 111.237 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.17 117.06 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.258 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.54 174.92 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.234 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.0 -46.75 83.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.203 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.24 -36.46 77.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.06 -29.82 60.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.53 -34.62 75.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.6 mp -56.22 -33.89 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.58 -37.32 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.5 ttm -53.23 -45.7 68.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -77.36 -22.58 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.03 -40.32 94.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -89.04 -23.17 22.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.5 t -124.59 79.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -177.523 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -31.14 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.279 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -34.91 79.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.57 -29.29 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.24 -24.32 59.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -64.64 -37.02 86.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 171.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.01 -42.33 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -60.63 -41.67 95.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -53.21 -47.21 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.69 -32.98 74.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.86 -40.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -78.8 -27.81 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.165 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -76.67 80.36 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.1 -40.04 95.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.02 29.23 29.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -93.98 -8.68 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.55 6.0 59.91 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.18 148.33 49.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.784 0.326 . . . . 0.0 111.191 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.38 119.46 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.2 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -88.22 -175.06 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -173.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -41.11 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.258 -176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -76.73 -29.98 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.32 -34.41 75.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.29 -36.75 37.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.65 -33.64 76.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.94 -44.94 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.259 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 33' ' ' GLY . 49.7 mm -87.65 -29.92 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.06 -34.66 44.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.28 -34.75 74.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.4 p -124.66 13.06 8.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -104.62 39.13 2.94 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.39 -32.39 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 111.188 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -100.28 7.33 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.205 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.87 148.91 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.32 172.7 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.8 -35.18 77.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.4 -38.58 78.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.71 -43.26 90.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.14 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.1 -36.48 84.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.32 -39.75 85.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.01 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.54 -49.24 77.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.34 -37.16 93.6 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.22 -38.82 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.9 p -77.01 -21.34 54.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -79.18 75.14 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.4 p -75.84 -25.03 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -80.16 -12.42 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 55.0 46.53 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -121.1 2.13 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.16 10.38 85.56 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -135.85 141.27 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.221 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.12 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -93.55 -173.82 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -62.26 -40.61 96.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.227 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.31 -48.56 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.01 -35.11 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.79 -49.06 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.51 -38.61 78.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.88 -37.32 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.8 tpt -65.34 -42.81 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.94 -21.59 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -173.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.26 -27.87 69.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.58 5.4 47.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.2 t -100.84 123.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.126 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.01 -40.23 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.51 -34.99 77.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.41 -34.74 41.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.35 -17.82 60.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -60.29 -37.83 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -75.51 -39.56 58.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.3 m -60.44 -41.3 93.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.42 -45.54 76.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.98 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.7 -45.08 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.98 -26.01 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.06 74.72 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.88 -45.79 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.68 -14.8 58.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -173.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.03 42.84 50.69 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -84.86 -16.92 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.09 5.7 60.65 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -155.23 165.11 37.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.3 mm -102.18 124.43 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -94.82 -175.98 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.38 -40.11 95.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.51 -46.76 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -79.43 -26.83 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.49 -38.95 85.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.91 -36.82 43.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.41 -34.84 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.206 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.08 -50.73 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLY . 10.0 tp -68.47 -22.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -54.64 -30.04 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.08 -28.25 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.1 p -125.16 16.16 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -95.96 19.6 53.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.59 -33.91 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 111.175 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -109.18 -1.45 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.56 148.13 22.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -89.93 172.46 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.19 -35.16 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.77 -40.32 79.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.3 -41.75 85.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.36 -48.1 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.83 -37.48 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.04 -43.26 92.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.05 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.15 -48.79 77.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.84 92.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.81 -40.18 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.217 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -69.88 -38.29 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.21 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -73.28 75.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.217 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.35 -10.03 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.75 44.86 25.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.91 -10.07 22.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.82 13.46 72.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.8 142.42 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.12 123.24 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 174.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -89.42 -178.72 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.5 -37.95 74.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.29 -43.4 83.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.54 -34.91 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.06 -44.61 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.24 -41.45 84.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.08 -37.74 88.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.7 mtt -64.89 -45.32 86.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -75.69 -21.9 57.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.25 -41.07 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.13 -45.54 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.238 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.13 -29.94 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.24 -41.8 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.44 -33.6 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.97 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.241 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -39.79 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.09 -48.45 76.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.4 m -64.94 -38.34 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.63 -50.83 71.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.03 -35.86 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.71 -43.94 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -71.6 -30.31 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -76.5 76.53 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.8 -35.0 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.79 19.37 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -90.36 -11.66 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.181 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.95 22.68 14.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -174.38 165.7 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 111.171 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.1 mm -92.8 118.52 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -79.87 170.87 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -62.95 -44.96 94.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.25 -38.96 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -37.32 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 74.8 t80 -66.0 -38.95 89.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.99 -41.27 84.41 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -68.44 -33.27 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.249 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PHE . 94.4 mt -61.13 -47.56 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.9 mt -70.16 -35.5 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.04 -30.33 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.33 -57.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -121.42 -8.7 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.24 -169.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.95 1.87 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.7 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.28 -24.49 60.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -90.93 155.66 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -97.01 175.37 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.86 -27.97 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.83 -31.84 61.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.31 -26.45 68.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.6 t -55.41 -55.27 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.28 -38.78 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.86 -45.99 72.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.47 -37.65 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -53.97 -49.27 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.81 -35.03 91.43 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.03 -34.21 74.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -78.87 -29.74 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -76.32 82.16 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.236 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.5 p -76.75 -25.1 53.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -82.42 -10.14 59.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.95 42.92 30.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -98.11 -0.65 43.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.06 33.09 27.39 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -171.82 157.06 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 111.223 -171.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -104.76 114.74 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.17 175.19 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.28 -49.36 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.16 -40.26 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.28 -31.12 68.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -64.57 -42.15 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.207 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -40.08 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.61 -27.65 34.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.77 -42.46 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.84 -13.74 62.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 -175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.61 -32.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.87 -23.02 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.2 t -114.77 122.48 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 178.29 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.35 -30.95 70.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.15 -48.05 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.52 -27.94 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -71.89 -27.33 62.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -75.68 -39.99 56.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.19 -43.66 92.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -55.29 -44.51 75.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -34.37 78.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -66.02 -44.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -81.82 -43.18 18.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -84.98 74.12 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.63 -25.65 49.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.99 -28.4 65.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.64 37.84 15.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -69.78 -34.66 74.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.209 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.95 7.95 59.45 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -162.57 165.36 26.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.9 mm -104.49 125.31 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.31 170.09 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -66.62 -46.94 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.95 -33.62 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.71 -45.16 75.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.83 -37.89 77.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.07 -31.2 61.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.28 -35.58 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 111.119 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.18 -47.33 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -61.34 -28.43 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.186 -175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 35' ' ' GLN . 88.6 mtm180 -77.21 -22.24 52.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.47 -16.21 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.1 p -86.99 -20.25 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.69 30.48 3.25 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -134.71 95.45 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.186 172.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 65.0 tt0 -70.28 117.19 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -111.43 152.51 27.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -78.02 173.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.61 -35.35 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.44 -42.05 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -35.79 82.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.53 -46.3 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.9 -38.73 79.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.72 -47.06 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.41 -35.38 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.27 -48.84 73.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.16 -33.45 86.99 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.84 -39.99 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 111.241 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 -34.85 73.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.0 76.53 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.6 p -75.56 -25.07 56.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.87 -13.9 59.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 55.01 43.11 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -102.85 1.19 33.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.71 -9.95 58.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -137.35 160.65 38.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 97.6 mt -92.2 119.97 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.6 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.68 -51.82 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.243 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.5 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.58 -45.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -43.26 83.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.226 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.48 -37.5 82.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.243 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -64.59 -43.43 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.1 mmm -60.92 -35.06 75.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.45 -23.79 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -97.39 7.64 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.243 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.5 124.88 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -34.62 73.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -174.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.98 -37.83 88.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.1 -34.56 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.04 -23.26 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -65.45 -40.46 93.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.99 -44.15 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.39 -40.07 96.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.84 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.46 -35.67 78.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.92 -45.17 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -73.01 -31.18 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -76.22 81.81 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.36 -37.46 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.83 -39.81 95.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.08 24.51 54.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -95.94 -0.74 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.194 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.61 11.82 70.56 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 98.7 m-85 -134.65 154.15 51.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 111.193 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 49.8 mm -96.65 122.98 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -84.84 169.92 13.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -63.32 -42.97 99.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.67 -37.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -65.5 -37.01 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.51 -40.08 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.07 -40.22 73.03 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.24 -41.55 81.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.236 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.51 -39.93 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.23 -42.59 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.95 -24.95 58.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -93.78 -15.79 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 35.57 20.05 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -102.49 150.04 23.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.95 99.98 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -130.4 150.06 51.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.4 p -85.02 171.09 12.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.38 -34.8 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.51 -36.29 76.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.39 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -55.97 -54.77 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.77 -43.27 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.58 -50.12 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.236 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.31 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.04 -48.26 73.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.07 -34.24 89.27 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.9 -34.48 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -79.72 -26.38 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -76.58 76.83 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.95 -15.57 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.09 42.06 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -105.77 3.11 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.28 -3.03 66.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 89.3 mmt-85 -137.56 154.59 49.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -100.16 121.19 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -78.16 174.31 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -64.3 -45.73 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.9 -40.37 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -63.75 -42.8 97.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.9 -39.46 85.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.81 -35.98 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.1 ttp -62.65 -44.26 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.3 mmm -76.1 -27.26 57.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.11 -40.23 92.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.177 171.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -107.95 34.93 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.11 139.71 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -36.14 83.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.72 -37.07 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.74 -39.86 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.243 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 -22.92 57.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -64.98 -42.56 94.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.61 -42.36 86.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.1 m -65.01 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.19 -47.15 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.08 -44.94 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -45.31 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.11 -34.35 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -77.14 77.73 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.58 -31.47 68.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -171.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.14 -20.28 38.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.32 41.21 38.53 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.55 -19.26 42.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.33 10.75 56.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -164.97 169.16 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 111.197 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.5 mm -102.06 121.87 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -96.41 -178.32 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.282 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.84 -44.9 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.79 -37.51 76.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' HD12 ' A' ' 28' ' ' ILE . 72.0 t80 -65.02 -36.74 85.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.45 -42.07 64.65 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -70.3 -42.41 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.206 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.0 mt -55.03 -39.75 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 36' ' ' LEU . 90.6 mt -55.21 -45.98 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.99 -29.88 63.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.85 -28.89 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -88.03 -15.42 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.05 30.58 25.37 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -100.89 159.04 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -109.97 79.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 29' ' ' ILE . 94.3 mt -115.07 151.6 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 p -102.95 176.52 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.54 -31.68 71.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.14 -30.05 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -79.75 -31.51 40.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.11 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.28 -41.74 93.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.38 -52.08 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.39 -43.38 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -55.83 -49.73 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.06 -41.1 97.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.62 -35.02 74.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.3 m -78.92 -28.76 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.03 81.62 2.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -76.35 -26.43 55.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.5 -10.75 59.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.269 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.15 42.08 30.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.26 -4.16 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.259 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.44 34.5 16.55 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -172.23 155.63 3.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 43.9 mm -96.79 112.92 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.278 173.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -73.1 174.3 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.84 -47.25 81.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.82 -39.31 93.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.55 -30.39 68.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.43 -42.51 87.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.16 -42.7 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.176 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.05 -36.42 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.6 ttp -64.98 -43.88 91.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.89 -30.67 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.189 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.58 -40.04 93.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -109.96 33.58 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' GLN . 7.6 p -64.92 141.13 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' A' ' 68' ' ' VAL . 66.3 tp60 . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.319 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.52 -28.69 70.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -56.65 -45.36 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.42 -32.87 48.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.59 -31.46 71.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -68.38 -25.46 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -77.86 -40.52 39.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.18 -42.78 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -55.09 -46.61 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.07 -27.74 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -174.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.48 69.86 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.229 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -72.0 -27.17 62.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.03 -20.61 41.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 41.28 49.36 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.11 -19.34 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.8 15.64 48.45 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -163.57 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.1 mm -100.09 120.82 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -84.13 174.14 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -62.25 -40.32 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.93 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -76.99 -25.2 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 80.2 t80 -68.66 -34.56 75.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.04 -39.31 68.84 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -67.99 -35.96 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 95.1 mt -61.42 -50.19 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 177.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.49 -16.88 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -74.85 -40.59 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.9 mt -90.91 -19.45 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -172.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -93.01 -3.04 55.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.26 45.16 20.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 173.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.57 108.61 17.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.271 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -88.91 99.85 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -113.51 152.67 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.1 p -83.77 173.29 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.54 -37.55 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.73 -42.53 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.6 -37.41 86.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.16 -45.8 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.187 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.65 -39.62 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -49.75 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.47 -39.52 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -56.69 -47.29 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.51 -29.57 72.98 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.36 -38.38 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.5 p -77.56 -20.2 54.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.65 75.09 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.247 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -61.29 -40.92 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -75.91 -12.01 60.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.226 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 55.21 45.51 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -101.42 2.67 39.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.46 -7.95 61.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -138.95 169.1 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.499 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 98.5 mt -99.31 117.48 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -76.51 172.48 12.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.252 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.68 -54.17 50.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.49 -36.04 82.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.35 -35.94 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 65' ' ' MET . 80.0 t80 -63.4 -44.38 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 174.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.19 -44.17 92.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -41.33 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.2 ttp -62.09 -47.77 83.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 61' ' ' PHE . 98.3 mmm -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.74 -39.29 84.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -106.52 31.98 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.06 140.41 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.586 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.65 -31.79 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.1 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.69 -35.15 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.18 -24.28 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -57.91 -38.65 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.219 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.33 -41.19 49.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.32 -40.74 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -55.12 -46.89 75.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.7 -34.73 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.3 -43.83 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -80.35 -26.52 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.11 74.3 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -74.38 -22.31 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -170.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -89.89 -19.9 24.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.97 40.46 35.31 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.98 -18.81 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.17 14.34 54.51 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -165.77 165.47 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.219 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -102.81 116.83 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -91.93 -174.98 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -61.15 -45.13 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -170.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.7 -39.62 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.23 -30.15 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.44 -36.01 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.87 -37.34 61.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -68.94 -35.09 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.66 -48.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -71.38 -34.42 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -54.45 -42.52 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.232 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -57.87 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -106.28 -17.04 14.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.172 -165.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.95 55.03 1.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -26.78 68.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.42 -4.54 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.64 153.3 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.2 p -93.2 175.01 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.41 -31.79 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.44 -28.02 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.16 -53.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.91 -37.21 75.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.42 -47.42 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.93 -37.29 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.93 -50.59 68.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.22 92.81 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.47 -35.91 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -82.06 -18.97 41.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -79.3 74.89 5.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.6 m -64.91 -38.4 90.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.16 -9.94 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 55.61 45.01 25.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.01 -9.67 33.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.03 14.05 70.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -154.95 159.58 40.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 111.221 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.8 mm -108.3 116.62 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.49 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.13 -40.35 95.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.8 -39.26 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.31 -27.21 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.35 -44.89 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.82 -37.24 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -80.89 -35.06 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.6 ttp -64.14 -43.34 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.17 -29.94 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.93 -31.99 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.28 -32.43 61.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.6 -49.3 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.19 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.99 -32.31 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.35 -41.33 85.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.3 -32.26 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.9 -34.83 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.209 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -67.39 -40.32 85.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.07 -43.84 90.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.92 -46.02 74.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.95 -34.17 77.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.98 -44.65 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -80.38 -24.31 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -75.33 77.99 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.35 -36.71 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.1 -39.77 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.199 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 23.38 51.89 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -95.94 -0.61 50.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 111.315 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.87 10.35 75.88 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.32 154.94 51.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -98.22 118.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -80.81 171.76 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 -57.43 -45.04 85.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.09 -40.24 90.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -69.46 -30.36 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.2 t80 -67.58 -40.64 84.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 174.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -37.47 92.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 173.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -65.66 -38.1 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 25' ' ' PHE . 89.6 mt -55.86 -49.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 174.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.88 -41.4 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -68.75 -39.51 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.8 -30.15 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 69' ' ' GLN . 51.7 p -80.36 -20.36 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 174.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.05 40.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 172.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HG ' ' A' ' 36' ' ' LEU . 3.9 tp10 -84.83 129.12 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 111.18 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -80.22 79.98 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.221 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 34' ' ' GLU . 93.9 mt -116.22 149.62 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -85.32 170.09 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.61 -34.88 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.35 -36.94 77.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.35 -41.56 98.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.73 -48.07 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.27 -43.61 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.53 -50.16 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.01 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.69 -49.74 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -33.48 87.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.97 -38.72 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -77.58 -21.15 52.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.04 75.19 10.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.198 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -59.67 -44.54 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.19 -171.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -92.19 5.15 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 54.78 46.01 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 173.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -97.58 -2.06 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.83 8.64 82.33 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -137.79 147.17 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.26 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.8 mt -103.38 121.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 170.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -86.45 -173.81 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -66.61 -42.9 86.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -172.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.04 -44.82 95.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -75.5 -31.36 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.38 -46.48 76.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 173.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.5 mp -57.76 -37.57 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.09 -36.85 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.2 mmt -72.72 -31.74 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.17 -28.65 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -79.23 -41.98 27.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.228 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -72.82 -40.21 65.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.42 107.52 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.635 ' O ' ' HB ' ' A' ' 32' ' ' THR . 64.4 tt0 . . . . . 0 C--O 1.201 -1.468 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.85 -30.33 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.22 -35.57 73.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.16 -33.03 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 173.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -84.02 -14.06 51.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -65.82 -38.92 90.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 168.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.28 -42.77 92.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.91 -41.78 99.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -55.95 -43.23 77.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.81 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.51 -44.87 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -77.19 -30.44 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.266 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -77.61 70.82 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 172.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.86 -25.51 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.22 -35.55 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.96 37.48 12.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 95.9 m-20 -96.83 -10.89 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -172.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.39 17.46 49.75 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 42.0 p90 -162.38 172.03 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 177.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.89 117.94 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.14 170.03 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 175.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.38 -45.09 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -35.07 77.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -70.38 -30.44 67.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -65.67 -34.99 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.32 -33.6 58.49 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.59 -33.24 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.196 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.32 -45.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 pt -75.3 -19.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.98 -39.49 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.224 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.23 -4.88 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.21 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.0 m -76.84 -41.32 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 166.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.53 23.22 7.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.26 99.78 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -80.07 100.01 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.63 153.52 25.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.132 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.7 p -79.34 172.75 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.05 -35.67 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -81.28 -40.29 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.245 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.21 -35.17 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.96 -42.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.53 -40.88 98.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.92 -48.73 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.81 -31.58 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.01 -47.77 84.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.82 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.95 -34.72 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -77.04 -25.12 52.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -72.8 76.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.7 m -64.0 -37.84 88.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.83 -9.62 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 55.91 44.93 24.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -92.0 -9.16 43.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.42 -26.95 18.47 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -139.89 172.71 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.19 121.39 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.17 -175.05 5.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.56 -37.63 77.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.09 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.283 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -78.24 -30.32 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.52 -46.39 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.9 -33.84 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -73.45 -33.91 65.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.0 mmt -69.69 -29.49 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.1 mmm -75.27 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.166 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -28.92 69.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -106.12 7.09 31.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.13 133.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.12 -41.02 62.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.98 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -34.14 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -75.8 -24.07 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -64.87 -39.92 94.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.45 -45.4 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.23 -37.37 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.17 -46.19 89.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.96 -34.85 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.268 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.8 -45.08 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -71.45 -36.16 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.203 -173.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.94 75.05 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.263 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.07 -30.17 67.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.88 -24.32 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.03 36.2 47.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.85 -21.87 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 18.8 24.4 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -176.1 166.19 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 51.5 mm -90.85 117.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -80.02 170.03 17.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -64.67 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.85 -37.51 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.245 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.24 -36.5 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.224 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.08 -39.6 92.32 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.51 -38.15 88.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.58 -41.15 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.73 -30.0 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.243 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.97 -46.15 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.7 p -119.37 -16.15 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -168.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.97 54.9 1.87 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.92 -29.81 70.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.229 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.21 -2.48 55.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.244 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.1 148.7 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -91.36 175.06 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.93 -28.25 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.9 -34.62 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.02 -27.43 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.05 -55.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.85 -36.04 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.68 -51.07 62.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.95 -38.33 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -37.06 93.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.52 -34.63 77.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.0 m -78.32 -29.98 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -81.08 75.21 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -75.74 -16.82 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -177.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.06 -10.03 57.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 55.03 43.25 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.94 -8.0 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.95 31.07 27.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -172.26 156.73 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.237 -171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 90.8 mt -109.44 110.48 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.95 170.1 16.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.18 -39.94 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.75 -38.28 81.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.53 -18.81 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -66.42 -42.17 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.213 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.45 -30.44 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -79.1 -37.99 37.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -65.03 -44.76 88.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.245 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.39 -27.93 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -67.79 -47.17 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -82.25 -32.97 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.22 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.62 124.5 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.289 -179.565 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.0 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.05 -30.48 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -37.55 80.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 176.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.34 -34.75 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -71.88 -26.79 62.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -67.96 -42.07 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -45.79 88.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -64.97 -37.35 87.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.55 -47.33 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.5 -39.2 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.21 -45.16 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.74 -30.63 64.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -170.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.12 81.02 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.195 173.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.9 -34.89 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -174.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -68.49 -34.89 76.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 32.97 22.05 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -84.94 -14.71 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.94 20.45 16.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -172.61 164.83 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.3 mm -88.3 119.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -80.67 170.01 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -63.28 -49.57 73.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.32 -31.58 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.2 -34.95 77.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' ILE . 83.2 t80 -64.96 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 173.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.72 -39.4 54.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.18 -41.75 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 25' ' ' PHE . 90.1 mt -55.06 -39.9 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 36' ' ' LEU . 97.5 mt -57.43 -42.18 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.96 -30.56 66.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.31 -25.06 57.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -94.82 -17.29 22.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.205 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.01 34.22 24.66 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -99.94 151.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 111.206 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -100.04 70.14 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 29' ' ' ILE . 90.6 mt -104.28 154.34 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.8 p -88.55 170.99 10.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.86 -35.56 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.36 -38.31 90.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.51 -54.22 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.78 -40.61 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.38 -49.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.03 -40.1 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.91 -51.73 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.73 93.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.293 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -65.88 -39.92 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -72.87 114.88 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -94.83 -10.17 32.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.228 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -100.06 -13.0 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.93 47.0 10.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -111.48 -8.39 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.16 41.84 6.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -148.56 157.73 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.181 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 87.0 mt -121.26 107.75 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 171.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -76.29 178.97 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -63.61 -51.13 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.12 -39.73 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.27 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.24 -42.95 99.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.09 -44.84 87.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.33 -35.43 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.3 ttp -65.0 -47.13 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.21 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.45 -23.75 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 174.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.46 -1.65 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -89.73 123.75 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -178.431 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.01 -28.67 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.45 -32.8 54.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.8 -25.57 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -73.61 -28.34 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.83 -40.17 65.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.35 -43.78 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -55.16 -44.4 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.38 -31.41 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.48 -45.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.75 -26.83 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -171.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -78.19 70.92 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -69.92 -23.9 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.246 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.8 -28.41 55.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.94 34.98 51.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -86.73 -15.03 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.13 13.62 55.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -166.76 169.29 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.255 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -99.93 117.67 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -92.5 -174.3 3.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -46.2 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -169.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.42 -46.66 82.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.254 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.77 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.219 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' ILE . 66.9 t80 -70.16 -38.15 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.68 -39.67 76.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.26 -37.34 85.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 0.0 111.229 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 88.3 mt -59.41 -41.67 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.38 -41.09 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.96 -41.95 99.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 176.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -81.86 -19.95 39.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.8 m -69.31 -40.16 77.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.14 26.85 4.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.3 140.3 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -99.87 70.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.1 mt -90.86 151.04 21.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.5 p -81.27 174.92 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 173.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.88 -35.03 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.27 -39.85 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.0 -37.13 83.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.01 -43.07 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.01 -32.3 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.49 -49.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -74.21 -30.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.208 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -55.19 -50.55 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 171.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.87 -33.22 85.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.223 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -75.41 -31.14 60.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -77.6 79.55 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -61.98 -39.46 92.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.93 -7.12 58.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 55.62 44.99 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -88.06 -8.26 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.65 26.47 32.37 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -172.72 154.56 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.2 -173.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -107.9 111.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.26 -175.01 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -62.73 -46.57 87.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.39 -44.64 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.07 -29.8 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.55 -44.37 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.62 -36.19 80.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -70.17 -39.31 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -68.82 -42.79 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mmm -65.32 -21.74 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -82.05 -24.4 35.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.3 -45.98 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.237 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.676 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.77 -30.02 70.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.69 -42.43 97.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.7 -31.39 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.96 -23.65 58.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -40.01 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.263 170.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.89 -41.43 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.3 m -60.55 -40.37 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.43 -47.01 70.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 176.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.54 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -68.93 -47.45 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.16 -31.36 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -171.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.04 75.95 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.67 -37.47 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.37 -36.0 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.87 31.52 20.58 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -76.24 -29.57 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.35 -6.11 71.4 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.85 143.08 48.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.2 mm -102.4 115.72 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -95.07 -172.39 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -64.77 -34.78 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.54 -44.81 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.262 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -73.15 -35.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -61.21 -43.66 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.23 -40.36 97.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.16 -39.82 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.88 -40.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.21 -44.63 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.62 -30.48 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.94 -31.5 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -86.12 -17.43 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.92 34.88 46.57 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -92.91 144.7 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 111.221 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.87 99.97 10.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 69' ' ' GLN . 72.8 mt -121.81 145.05 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -176.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.3 p -84.9 173.85 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 174.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.91 -29.52 69.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.26 -39.25 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.3 -44.86 88.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 m -71.09 -25.78 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -77.85 -35.08 51.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.77 -44.19 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.29 -49.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.94 -44.48 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.8 -44.18 95.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -65.11 -37.7 88.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.218 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 m -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -73.44 79.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 p -81.12 -25.6 36.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.59 -15.16 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.03 47.68 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -122.5 3.86 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.98 6.22 85.27 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.04 129.61 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 98.6 mt -88.11 112.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -85.42 -172.3 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.95 -53.52 56.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.39 -37.94 89.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -70.08 -30.57 67.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.02 -40.48 95.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.57 -37.51 75.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -70.71 -40.8 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -59.87 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.4 mmm -62.56 -30.32 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.244 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.73 -38.02 88.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -110.01 13.73 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 -175.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.67 -23.0 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.183 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' O ' HD21 ' A' ' 36' ' ' LEU . 64.4 tt0 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.12 -31.12 71.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.95 -44.77 96.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.29 -32.92 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.96 -21.32 59.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -65.12 -40.83 95.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 170.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.81 -43.35 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.1 m -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.5 -46.2 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.81 -35.68 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.9 -42.48 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -76.38 -25.38 54.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -73.79 72.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 169.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.26 -27.44 59.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -71.37 -36.64 71.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.81 39.25 8.21 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.15 -10.35 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.13 -5.53 68.41 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.75 163.83 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.22 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 56' ' ' ILE . 50.6 mm -88.89 122.25 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -81.03 170.17 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -62.69 -45.79 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.5 -33.45 74.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.42 -30.2 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.99 -35.44 81.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.21 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.28 -41.57 47.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.3 -33.22 72.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.202 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.6 mt -75.26 -54.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.77 -20.02 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -74.38 -14.2 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.4 -36.45 78.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -124.49 -13.15 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 175.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.11 41.03 2.34 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -69.96 -12.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.17 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.26 3.63 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -92.58 155.16 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -84.83 166.44 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.35 -30.01 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 172.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.66 -40.6 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 174.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.91 -44.97 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -37.9 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.11 -44.57 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.22 -40.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.83 -50.14 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.14 -34.54 89.95 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.16 -37.59 81.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 111.191 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -79.28 -20.01 49.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.97 74.87 9.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.267 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.1 -7.24 58.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.34 45.84 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.81 -11.97 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.14 3.37 79.3 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -139.95 156.61 46.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.225 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 20' ' ' ILE . 91.2 mt -107.63 122.31 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.37 -174.95 5.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -68.16 -39.58 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.71 -44.94 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.32 -31.75 58.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.186 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.95 -45.96 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -34.64 78.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.92 -32.29 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.2 mmt -76.44 -31.63 57.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 176.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 99.0 mmm -87.74 -7.27 57.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.55 -40.24 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.03 5.97 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -177.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -108.38 -60.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.247 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.333 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 98.0 mt-10 -63.76 -30.28 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.03 -37.03 86.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -81.44 -27.69 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.37 -32.51 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.65 -29.14 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.26 -43.44 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.42 -36.07 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.43 -47.95 81.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.03 -49.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.206 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.87 -32.7 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -84.88 73.91 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.34 -30.13 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -173.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.51 -25.7 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.42 36.85 37.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.52 -23.83 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.36 18.97 26.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -175.4 167.34 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.4 mm -102.6 119.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.205 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -95.11 -176.12 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.86 -22.38 58.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 -171.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -76.12 -40.28 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.9 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' HA ' HD12 ' A' ' 28' ' ' ILE . 87.2 t80 -59.95 -42.0 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.95 -40.25 72.16 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -36.88 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 25' ' ' PHE . 92.8 mt -60.99 -45.77 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.0 pt -80.02 -19.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -65.09 -34.91 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.25 -25.2 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -93.89 -17.48 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.87 25.94 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -105.76 115.69 30.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 111.237 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -91.56 100.08 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -108.54 149.74 28.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.5 p -85.04 170.61 12.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.06 -36.65 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.14 -40.56 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.37 -46.39 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.48 -42.88 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.98 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.07 -43.53 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.03 -45.0 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.2 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -71.04 -39.76 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.38 87.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.62 -35.08 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.157 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -107.02 20.17 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -81.12 104.94 11.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -74.61 -49.0 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -112.51 23.04 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 -169.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 55.9 41.76 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -124.18 11.24 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.77 46.19 84.47 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 ptt85 -144.45 160.75 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.182 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.83 119.36 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -83.69 -178.35 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -65.21 -40.95 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 -174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -57.21 -37.85 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -89.82 -22.28 22.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.63 -34.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 173.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.22 -26.58 60.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -82.9 -37.29 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.2 ttm -53.3 -45.9 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.6 mmm -67.98 -19.46 64.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.179 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.28 -30.03 68.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -87.15 -30.04 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 124.09 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.217 -179.848 . . . . . . . . 0 0 . 1 stop_ save_